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2-bromo-1-(3-hydroxyphenyl)ethanone

2-bromo-1-(3-hydroxyphenyl)ethanone

CAS: 2491-37-4

Formula: C8H7BrO2

SMILES: OC1=CC=CC(=C1)C(=O)CBr

IUPAC: 2-bromo-1-(3-hydroxyphenyl)ethan-1-one

InChI: InChI=1S/C8H7BrO2/c9-5-8(11)6-2-1-3-7(10)4-6/h1-4,10H,5H2

Composition: C (44.68%), H (3.28%), Br (37.16%), O (14.88%)

Molar Mass: 215.046

Atom Count: 18

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 213.962942
Formal Charge 0
FSP3 0.12
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey IEPSGFQQGKPTPM-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 46.18
Topological Polar Surface Area 37.3
Polarizability 17.46
Ring Count 1
Rotatable Bond Count 2

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