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3,4-difluorobenzonitrile

3,4-difluorobenzonitrile

CAS: 64248-62-0

Formula: C7H3F2N

SMILES: FC1=C(F)C=C(C=C1)C#N

IUPAC: 3,4-difluorobenzonitrile

InChI: InChI=1S/C7H3F2N/c8-6-2-1-5(4-10)3-7(6)9/h1-3H

Composition: C (60.44%), H (2.17%), F (27.32%), N (10.07%)

Molar Mass: 139.105

Atom Count: 13

Heavy Atom Count: 10

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 139.023355427
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey BTBFCBQZFMQBNT-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 32.21
Topological Polar Surface Area 23.79
Polarizability 11.61
Ring Count 1
Rotatable Bond Count 0

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