1-(4-bromophenyl)butan-1-one

1-(4-bromophenyl)butan-1-one

CAS: 4981-64-0

Formula: C10H11BrO

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

IUPAC: 1-(4-bromophenyl)butan-1-one

InChI: InChI=1S/C10H11BrO/c1-2-3-10(12)8-4-6-9(11)7-5-8/h4-7H,2-3H2,1H3

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	0
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	HOIDKJFWEVIJAT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	53.31
Topological Polar Surface Area	17.07
Polarizability	20.49
Ring Count	1
Rotatable Bond Count	3

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