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3-chloro-1-(4-chlorophenyl)propan-1-one

3-chloro-1-(4-chlorophenyl)propan-1-one

CAS: 3946-29-0

Formula: C9H8Cl2O

SMILES: ClCCC(=O)C1=CC=C(Cl)C=C1

IUPAC: 3-chloro-1-(4-chlorophenyl)propan-1-one

InChI: InChI=1S/C9H8Cl2O/c10-6-5-9(12)7-1-3-8(11)4-2-7/h1-4H,5-6H2

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 AYFJBHFMQODYBC-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 50.72
Topological Polar Surface Area 17.07
Polarizability 19.62
Ring Count 1
Rotatable Bond Count 3

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