1-(3,5-dichlorophenyl)propan-1-one

1-(3,5-dichlorophenyl)propan-1-one

CAS: 92821-92-6

Formula: C9H8Cl2O

SMILES: CCC(=O)C1=CC(Cl)=CC(Cl)=C1

IUPAC: 1-(3,5-dichlorophenyl)propan-1-one

InChI: InChI=1S/C9H8Cl2O/c1-2-9(12)6-3-7(10)5-8(11)4-6/h3-5H,2H2,1H3

Composition: C (53.23%), H (3.97%), Cl (34.92%), O (7.88%)

Molar Mass: 203.06

Atom Count: 20

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	201.9952203
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	KFXWPKDEAPLDKF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.7
Topological Polar Surface Area	17.07
Polarizability	19.67
Ring Count	1
Rotatable Bond Count	2

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