(2S)-1-(2-chloroacetyl)pyrrolidine-2-carbonitrile

(2S)-1-(2-chloroacetyl)pyrrolidine-2-carbonitrile

CAS: 207557-35-5

Formula: C7H9ClN2O

SMILES: ClCC(=O)N1CCC[C@H]1C#N

IUPAC: (2S)-1-(2-chloroacetyl)pyrrolidine-2-carbonitrile

InChI: InChI=1S/C7H9ClN2O/c8-4-7(11)10-3-1-2-6(10)5-9/h6H,1-4H2/t6-/m0/s1

Composition: C (48.71%), H (5.26%), Cl (20.54%), N (16.23%), O (9.27%)

Molar Mass: 172.61

Atom Count: 20

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	172.0403406
Formal Charge	0
FSP3	0.71
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	YCWRPKBYQZOLCD-LURJTMIESA-N
Lipinski's Rule of Five	1
Molar Refractivity	41.36
Topological Polar Surface Area	44.1
Polarizability	15.87
Ring Count	1
Rotatable Bond Count	1

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