C1=CC(=CC(=C1)Br)CC(=O)O
CAS: 1878-67-7
Nom: 2-(3-bromophenyl)acetic acid
SMILES: C1=CC(=CC(=C1)Br)CC(=O)O

Molecular Processing

Molecular formula
C8H7BrO2
Molecular weight
215.05
Exact mass
213.9629
XLogP
2.08
TPSA
37.3
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
11
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
0.125
Molar refractivity
45.48

Supplementary Information

InChIKey: KYNNBXCGXUOREX-UHFFFAOYSA-N
Synonymes
3-Bromophenylacetic acid1878-67-7(3-Bromophenyl)acetic acidBenzeneacetic acid, 3-bromo-EINECS 217-522-1DTXSID0075152RefChem:400000DTXCID3035927217-522-12-(3-bromophenyl)acetic acidM-BROMOPHENYLACETIC ACIDMFCD00004330(m-Bromophenyl)acetic Acid; 2-(3-Bromophenyl)acetic Acid; 3-Bromobenzeneacetic Acid;3-bromo-phenylacetic acid3-bromophenyl acetic acidmeta-bromophenylacetic acid3-bromo-phenyl acetic acid3-bromo-phenyl-acetic acid6QF7XW7X4J(3-bromo-phenyl)acetic acidSCHEMBL78652(3-Bromo-phenyl)-acetic acidCHEMBL139276orb29403862-(3-bromophenyl) acetic acid3-Bromophenylacetic acid, 98%SCHEMBL22344416SCHEMBL28189249KYNNBXCGXUOREX-UHFFFAOYSA-2-(3-Bromo-phenyl)-acetic acid
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Recherche Etendue

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