2-bromo-1-(3-methylphenyl)propan-1-one

2-bromo-1-(3-methylphenyl)propan-1-one

CAS: 1451-83-8

Formula: C10H11BrO

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

IUPAC: 2-bromo-1-(3-methylphenyl)propan-1-one

InChI: InChI=1/C10H11BrO/c1-7-4-3-5-9(6-7)10(12)8(2)11/h3-6,8H,1-2H3

Composition: C (52.89%), H (4.88%), Br (35.18%), O (7.04%)

Molar Mass: 227.101

Atom Count: 23

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	225.999328
Formal Charge	0
FSP3	0.3
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	QGGNDYQVUDZPJB-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	53.73
Topological Polar Surface Area	17.07
Polarizability	20.34
Ring Count	1
Rotatable Bond Count	2

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