3-bromo-1-phenylpropan-1-one

3-bromo-1-phenylpropan-1-one

CAS: 29636-75-7

Formula: C9H9BrO

SMILES: BrCCC(=O)C1=CC=CC=C1

IUPAC: 3-bromo-1-phenylpropan-1-one

InChI: InChI=1S/C9H9BrO/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5H,6-7H2

Composition: C (50.73%), H (4.26%), Br (37.50%), O (7.51%)

Molar Mass: 213.074

Atom Count: 20

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	211.983678
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	RTXGOKBYAHABBR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.9
Topological Polar Surface Area	17.07
Polarizability	18.58
Ring Count	1
Rotatable Bond Count	3

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