Benzenemethanol, 3-bromo-, 1-acetate

HCID 12858554
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Basic information

CAS
82101-11-9
Standard SMILES
CC(=O)OCc1cccc(Br)c1
InChIKey
LKRBJGQCGJSSSX-UHFFFAOYSA-N
Molecular formula
C9H9BrO2
Average molar mass
229.07 g/mol
Monoisotopic mass
227.97859

Names & identifiers

Preferred name
Benzenemethanol, 3-bromo-, 1-acetate
IUPAC
(3-bromophenyl)methyl acetate
English name
(3-bromophenyl)methyl acetate
Molecular formula
C9H9BrO2
Molecular weight
229.07

Names & synonyms

82101-11-9Benzenemethanol, 3-bromo-, 1-acetateRefChem:324924(3-bromophenyl)methyl acetate3-bromobenzyl acetate(3-bromophenyl)methylacetateSCHEMBL10795863DTXSID401289314MFCD29043811Acetic acid, (3-bromophenyl)methyl esterBS-32834

Database identifiers

CAS
82101-11-9
PubChem CID
12858554
DTXSID
DTXSID401289314

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
12

Experimental & physicochemical properties

Kovats Retention Index1455

Physicochemical properties

Boiling point
265.4 · 265.4±15.0 °C(Predicted)
Density
1.445 · 1.445±0.06 g/cm3(Predicted)

Chemistry & industry

Suppliers1 total

常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]

Related reactions

6 records
New reaction record

Compound notes

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