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1-(4-chlorophenyl)cyclobutane-1-carbonitrile

1-(4-chlorophenyl)cyclobutane-1-carbonitrile

CAS: 28049-61-8

Formula: C11H10ClN

SMILES: ClC1=CC=C(C=C1)C1(CCC1)C#N

IUPAC: 1-(4-chlorophenyl)cyclobutane-1-carbonitrile

InChI: InChI=1S/C11H10ClN/c12-10-4-2-9(3-5-10)11(8-13)6-1-7-11/h2-5H,1,6-7H2

Composition: C (68.94%), H (5.26%), Cl (18.50%), N (7.31%)

Molar Mass: 191.66

Atom Count: 23

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 191.050177
Formal Charge 0
FSP3 0.36
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey XQONXPWVIZZJIL-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 53.02
Topological Polar Surface Area 23.79
Polarizability 20.5
Ring Count 2
Rotatable Bond Count 1

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95.45% <7 Days 28049-61-8 $43.95-$217.86$43.95$105.66$217.86
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98% <6 Days 28049-61-8 $11.50-$243.80$11.50$26.45$87.40$138.00$243.80
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