2-(4-Bromophenyl)Butanoic Acid 2-(4-溴苯基)丁酸

CAS 99070-18-5 MFCD01737245

化学结构图

99070-18-5
SMILES: CCC(C(O)=O)C1C=CC(Br)=CC=1

化学属性

Mol. FormulaC10H11BrO2
Mol. Weight243

别名和识别编码

Chemical Name2-(4-Bromophenyl)Butanoic Acid
Alfabeta NameBROMOPHENYLBUTANOICACID 24()--
MDL NumberMFCD01737245
CAS Number99070-18-5
Wiswesser Line NotationQVY2&R DE
Synonym 2-(p-Bromophenyl)butyric acid
Beilstein Registry Number3259841
Chemical Name Translation2-(4-溴苯基)丁酸
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分类

  • {KO} CarboxylicAcids

安全信息

Warnings IRRITANT
RTECSES8060000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 470 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FRPSAX Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia,
   Italy)  V.8-43 1953-88 For publisher information, see FRMCE8
   Volume(issue)/page/year: 13,286,1958

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
3
H-bond Donors
1
LogP
3

系列性分类

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