4-Bromobenzo[B]Thiophene-2-Carboxylic Acid 4-溴苯并[b]噻吩-2-羧酸

CAS 5194-37-6 MFCD03407342

化学结构图

5194-37-6
SMILES: O=C(O)c1cc2c(Br)cccc2s1

化学属性

Mol. FormulaC9H5BrO2S
Mol. Weight257.10
Melting Point265°C
Boiling Point429.7°C at 760 mmHg

别名和识别编码

Chemical Name4-Bromobenzo[B]Thiophene-2-Carboxylic Acid
CAS Number5194-37-6
Alfabeta NameBROMOBENZOTHIOPHENECARBOXYLICACID 412-----
MDL NumberMFCD03407342
Chemical Name Translation4-溴苯并[b]噻吩-2-羧酸
PubChem Substance ID13466538
InChIInChI=1S/C9H5BrO2S/c10-6-2-1-3-7-5(6)4-8(13-7)9(11)12/h1-4H,(H,11,12)
LabNetwork Molecule IDLN00149459
Synonym 4-Bromobenzo[b]thiophene-2-carboxylic acid {LY} 4-Bromobenzo[b]thiophene-2-carboxylic acid {} {LY} 4-Bromobenzo[b]thiophene-2-carboxylic acid {} {} {LY} 4-Bromobenzo[b]thiophene-2-carboxylic acid {} {} {} {LY} 4-Bromobenzo[b]thiophene-2-carboxylic acid {} {} {} {} {LY} 4-Bromobenzo[b]thiophene-2-carboxylic acid {} {} {} {} {} {LY} 4-Bromobenzo[b]thiophene-2-carboxylic acid {} {} {} {} {} {} {LY} 4-Bromobenzo[b]thiophene-2-carboxylic acid {} {} {} {} {} {} {} {LY} 4-Bromobenzo[b]thiophene-2-carboxylic acid {} {} {} {} {} {} {} {} {LY} 4-Bromobenzo[b]thiophene-2-carboxylic acid {} {} {} {} {} {} {} {} {} {LY} 4-Bromobenzo[b]thiophene-2-carboxylic acid {} {} {} {} {} {} {} {} {} {} {LY} 4-Bromobenzo[b]thiophene-2-carboxylic acid {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Bromobenzo[b]thiophene-2-carboxylic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Bromobenzo[b]thiophene-2-carboxylic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 4-Bromobenzo[b]thiophene-2-carboxy
Canonical SMILESO=C(C1=CC2=C(Br)C=CC=C2S1)O
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分类

  • {KO} CarboxylicAcids

安全信息

Warnings IRRITANT
Storage condition 2-8°C, protect from light {LY} 2-8°C, protect from light {} {LY} 2-8°C, protect from light {} {} {LY} 2-8°C, protect from light {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, protect from light {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}

药物吸收、分布、代谢与排泄(ADME)

Lipinski's Rule of 3
Y
Lipinski's Rule of 5
Y
H-bond Acceptors
2
Rotatable Bonds
1
H-bond Donors
1
LogP
2

系列性分类

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