2-(3-chloro-2,4-difluorophenyl)acetonitrile

2-(3-chloro-2,4-difluorophenyl)acetonitrile

CAS: 886761-67-7

Formula: C8H4ClF2N

SMILES: FC1=CC=C(CC#N)C(F)=C1Cl

IUPAC: 2-(3-chloro-2,4-difluorophenyl)acetonitrile

InChI: InChI=1S/C8H4ClF2N/c9-7-6(10)2-1-5(3-4-12)8(7)11/h1-2H,3H2

Composition: C (51.23%), H (2.15%), Cl (18.90%), F (20.26%), N (7.47%)

Molar Mass: 187.57

Atom Count: 16

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	187.0000332
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	LTQOCFQXFUZWLB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	41.58
Topological Polar Surface Area	23.79
Polarizability	15.31
Ring Count	1
Rotatable Bond Count	1

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	886761-67-7		$76.92$76.92