COC(=O)CC1=CC(=CC=C1)Br
CAS: 150529-73-0
Name: methyl 2-(3-bromophenyl)acetate
SMILES: COC(=O)CC1=CC(=CC=C1)Br

Molecular Processing

Molecular formula
C9H9BrO2
Molecular weight
229.07
Exact mass
227.9786
XLogP
2.16
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
49.86

Supplementary Information

InChIKey: ULSSGHADTSRELG-UHFFFAOYSA-N
Synonyme
Methyl 2-(3-bromophenyl)acetate150529-73-0Methyl 3-bromophenylacetateDTXSID40471755RefChem:813380DTXCID50422571604-742-1(3-Bromophenyl)acetic acid methyl esterBenzeneacetic acid, 3-bromo-, methyl esterMFCD068587643-Bromophenylacetic acid methyl esterMethyl (3-bromophenyl)acetateMethyl m-bromophenylacetatemethyl 3-bromobenzeneacetateM52JSD72XNmethyl 3-bromophenyl-acetatemethyl(3-bromophenyl)acetatemethyl-(3-bromophenyl)acetateSCHEMBL136054SCHEMBL29700723ULSSGHADTSRELG-UHFFFAOYSA-NAB39313-bromophenyl acetic acid methyl esterAKOS011268642CS-W019829FM46201METHYL2-(3-BROMOPHENYL)ACETATEPS-4897(3-bromo-phenyl)acetic acid methyl ester(3-Bromophenyl)-acetic acid methyl ester
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