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4-chloro-1-(3-fluorophenyl)butan-1-one

4-chloro-1-(3-fluorophenyl)butan-1-one

CAS: 3110-52-9

Formula: C10H10ClFO

SMILES: FC1=CC(=CC=C1)C(=O)CCCCl

IUPAC: 4-chloro-1-(3-fluorophenyl)butan-1-one

InChI: InChI=1S/C10H10ClFO/c11-6-2-5-10(13)8-3-1-4-9(12)7-8/h1,3-4,7H,2,5-6H2

Composition: C (59.86%), H (5.02%), Cl (17.67%), F (9.47%), O (7.97%)

Molar Mass: 200.64

Atom Count: 23

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 200.0404208
Formal Charge 0
FSP3 0.3
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey PLSCLNABOWDJKS-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 50.88
Topological Polar Surface Area 17.07
Polarizability 19.27
Ring Count 1
Rotatable Bond Count 4

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95% <6 Days 3110-52-9 $623.30-$1,999.85$623.30$955.65$1,999.85
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