1-[3-(chloromethyl)phenyl]ethanone

1-[3-(chloromethyl)phenyl]ethanone

CAS: 41908-12-7

Formula: C9H9ClO

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

IUPAC: 1-[3-(chloromethyl)phenyl]ethan-1-one

InChI: InChI=1S/C9H9ClO/c1-7(11)9-4-2-3-8(5-9)6-10/h2-5H,6H2,1H3

Composition: C (64.11%), H (5.38%), Cl (21.02%), O (9.49%)

Molar Mass: 168.62

Atom Count: 20

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	168.0341926
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	COWCOTXRROPSNR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.33
Topological Polar Surface Area	17.07
Polarizability	17.72
Ring Count	1
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<7 Days	41908-12-7		$226.27-$572.22$226.27$572.22