C1=CC=C(C(=C1)O)Br
CAS: 95-56-7
Name: 2-bromophenol
SMILES: C1=CC=C(C(=C1)O)Br

Molecular Processing

Molecular formula
C6H5BrO
Molecular weight
173.01
Exact mass
171.9524
XLogP
2.15
TPSA
20.23
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
8
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0
Molar refractivity
35.81

Supplementary Information

InChIKey: VADKRMSMGWJZCF-UHFFFAOYSA-N
Synonyme
2-BROMOPHENOL95-56-7o-BromophenolPhenol, 2-bromo-ortho-bromophenolDTXSID8052641A0UB206YF0NSC-6970DTXCID5031214RefChem:85892202-432-7BROMOPHENOL2-Bromfenol2-Bromo-phenolPhenol, o-bromo-2-bromo phenolo-bromo-phenolMFCD00002146NSC 697032762-51-9CHEMBL186007Phenol, bromo-2-Bromfenol [Czech]2BREINECS 202-432-71-Bromo-2-hydroxybenzeneBRN 1905115bromphenolUNII-A0UB206YF0bromo phenol
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