2-Bromo-1-(4-hydroxy-3-methoxyphenyl)ethan-1-one

HCID 13542258CAS 69638-06-8

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Basic information

Standard SMILES: COc1cc(C(=O)CBr)ccc1O
InChIKey: SDTPFVAZAREICN-UHFFFAOYSA-N
Molecular formula: C9H9BrO3
Average molar mass: 245.07 g/mol
Monoisotopic mass: 243.97350625

Names & identifiers

Preferred name: 2-Bromo-1-(4-hydroxy-3-methoxyphenyl)ethan-1-one
IUPAC: 2-bromo-1-(4-hydroxy-3-methoxyphenyl)ethanone
English name: 2-bromo-1-(4-hydroxy-3-methoxyphenyl)ethanone
Molecular formula: C9H9BrO3
Molecular weight: 245.07

Names & synonyms

69638-06-82-Bromo-1-(4-hydroxy-3-methoxyphenyl)ethan-1-oneDTXSID30543314RefChem:256837DTXCID304940992-bromo-1-(4-hydroxy-3-methoxyphenyl)ethanoneMFCD097459012-bromo-1-(4-hydroxy-3-methoxy-phenyl)-ethanoneSCHEMBL1119567SDTPFVAZAREICN-UHFFFAOYSA-NAKOS015836057SY420794

Show more names

2-bromo-1-(4-hydroxy-3-methoxyphenyl)ethylone

2-bromo-4'-hydroxy-3'-methoxyacetophenone4'-hydroxy-3'-methoxy-2-bromoacetophenoneDB-014047F729952-bromo-1-(4-hydroxy-3-methoxy-phenyl)ethanoneF863032Ethanone, 2-bromo-1-(4-hydroxy-3-methoxyphenyl)-

Database identifiers

CAS: 69638-06-8
PubChem CID: 13542258
DTXSID: DTXSID30543314
Nikkaji: J1.377.561C

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 46.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 13
Formal charge: 0
Complexity: 184

Physicochemical properties

Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 302 · H302-H314
Precautionary statements: 264 · P264-P270-P271-P280-P303+P361+P353-P304+P340-P305+P351+P338-P310-P330-P331-P363-P403+P233-P501
HazardClass: IRRITANT

Safety & regulation

Safety data

Signal word: Danger
Symbol(GHS): GHS05,GHS07
hazard_class: IRRITANT
Hazard statements: H302-H314
Precautionary statements: P264-P270-P271-P280-P303+P361+P353-P304+P340-P305+P351+P338-P310-P330-P331-P363-P403+P233-P501