CAS 147962-81-0 Ethyl 3-bromo-4-methylbenzoate (HCID 14945865)

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Basic information

CAS: 147962-81-0
Standard SMILES: CCOC(=O)c1ccc(C)c(Br)c1
InChIKey: ILZQYNXOOLMOGA-UHFFFAOYSA-N
Molecular formula: C10H11BrO2
Average molar mass: 243.1 g/mol
Monoisotopic mass: 241.99424169

Names & identifiers

Preferred name: Ethyl 3-bromo-4-methylbenzoate
IUPAC: ethyl 3-bromo-4-methylbenzoate
English name: Ethyl 3-bromo-4-methylbenzoate
Molecular formula: C10H11BrO2
Molecular weight: 243.1

Names & synonyms

Ethyl 3-bromo-4-methylbenzoate147962-81-0Benzoic acid, 3-bromo-4-methyl-, ethyl esterMFCD11042852Ethyl3-bromo-4-methylbenzoate3-Bromo-4-methyl-benzoic acid ethyl esterSCHEMBL670944SCHEMBL30349688ethyl 3-bromo-4-methyl-benzoateDTXSID60565862ILZQYNXOOLMOGA-UHFFFAOYSA-NAKOS015843454

Show more names

FS-4502MB09092SY291399DB-063743CS-0151794D70717F328190

Database identifiers

CAS: 147962-81-0
PubChem CID: 14945865
DTXSID: DTXSID60565862
Nikkaji: J2.647.658E

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 13
Formal charge: 0
Complexity: 182

Physicochemical properties

storage temp.: Sealed in dry,Room Temperature
Appearance: Light yellow to yellow Liquid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338