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2-benzoyl-4-bromophenol

2-benzoyl-4-bromophenol

CAS: 55082-33-2

Formula: C13H9BrO2

SMILES: OC1=CC=C(Br)C=C1C(=O)C1=CC=CC=C1

IUPAC: 2-benzoyl-4-bromophenol

InChI: InChI=1S/C13H9BrO2/c14-10-6-7-12(15)11(8-10)13(16)9-4-2-1-3-5-9/h1-8,15H

Composition: C (56.35%), H (3.27%), Br (28.83%), O (11.55%)

Molar Mass: 277.117

Atom Count: 25

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 275.978593
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey IVIICRNXAGUXLR-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 66.24
Topological Polar Surface Area 37.3
Polarizability 25.32
Ring Count 2
Rotatable Bond Count 2

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