CAS 924271-34-1 7-Bromo-6-methoxy-1(2H)-isoquinolinone (HCID 58005125)

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Basic information

CAS: 924271-34-1
Standard SMILES: COc1cc2cc[nH]c(=O)c2cc1Br
InChIKey: BIOCLYNSTMVCRB-UHFFFAOYSA-N
Molecular formula: C10H8BrNO2
Average molar mass: 254.08 g/mol
Monoisotopic mass: 252.97384

Names & identifiers

Preferred name: 7-Bromo-6-methoxy-1(2H)-isoquinolinone
IUPAC: 7-bromo-6-methoxy-2H-isoquinolin-1-one
English name: 7-broMo-6-Methoxyisoquinolin-1(2H)-one
Molecular formula: C10H8BrNO2
Molecular weight: 254.08

Names & synonyms

924271-34-17-Bromo-6-methoxy-1(2H)-isoquinolinoneRefChem:3104617-bromo-6-methoxyisoquinolin-1(2H)-one7-bromo-6-methoxy-2H-isoquinolin-1-oneSCHEMBL731374SCHEMBL16431665SCHEMBL31083057BIOCLYNSTMVCRB-UHFFFAOYSA-NDTXSID1012825577-bromo-6-methoxyisoquinolin-1-olDA-00782

Show more names

1(2H)-Isoquinolinone, 7-bromo-6-methoxy-

F30568

Database identifiers

CAS: 924271-34-1
PubChem CID: 58005125
DTXSID: DTXSID101282557

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 38.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 267

Physicochemical properties

Symbol(GHS): 8 · GHS08
Signal word: Danger
Hazard statements: 303 · H303-H360
Precautionary statements: 201 · P201-P202-P260-P270-P281-P301+P312-P308+P313-P403-P501c

Safety & regulation

Safety data

Signal word: Danger
Symbol(GHS): GHS08
Hazard statements: H303-H360
Precautionary statements: P201-P202-P260-P270-P281-P301+P312-P308+P313-P403-P501c