2-(5-chloropyrimidin-4-yl)acetonitrile

2-(5-chloropyrimidin-4-yl)acetonitrile

CAS: 1261737-95-4

Formula: C6H4ClN3

SMILES: ClC1=CN=CN=C1CC#N

IUPAC: 2-(5-chloropyrimidin-4-yl)acetonitrile

InChI: InChI=1S/C6H4ClN3/c7-5-3-9-4-10-6(5)1-2-8/h3-4H,1H2

Composition: C (46.93%), H (2.63%), Cl (23.08%), N (27.36%)

Molar Mass: 153.57

Atom Count: 14

Heavy Atom Count: 10

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	153.0093748
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	HSXNXCMGGODPSW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	37.44
Topological Polar Surface Area	49.57
Polarizability	14.03
Ring Count	1
Rotatable Bond Count	1

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