1-(3-bromo-5-methoxyphenyl)ethanone

1-(3-bromo-5-methoxyphenyl)ethanone

CAS: 1073642-71-3

Formula: C9H9BrO2

SMILES: COC1=CC(Br)=CC(=C1)C(C)=O

IUPAC: 1-(3-bromo-5-methoxyphenyl)ethan-1-one

InChI: InChI=1S/C9H9BrO2/c1-6(11)7-3-8(10)5-9(4-7)12-2/h3-5H,1-2H3

Composition: C (47.19%), H (3.96%), Br (34.88%), O (13.97%)

Molar Mass: 229.073

Atom Count: 21

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	227.978593
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	NFBOXKSRASBKQU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.55
Topological Polar Surface Area	26.3
Polarizability	19.42
Ring Count	1
Rotatable Bond Count	2

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