AG00EFAJ

565452-98-4 | 2-Pyrrolidinecarbonitrile, 1-(chloroacetyl)-, (2R)- (9CI)

AG00EFAJ

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CAS Number	565452-98-4
Catalog Number	AG00EFAJ(AGN-PC-0OCE83)
Chemical Name	2-Pyrrolidinecarbonitrile, 1-(chloroacetyl)-, (2R)- (9CI)
IUPAC Name	(2R)-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-/m1/s1
InChI Key	YCWRPKBYQZOLCD-ZCFIWIBFSA-N
MDL Number	MFCD11215489
Molecular Formula	C7H9ClN2O
Molecular Weight	172.6122
SMILES	N#C[C@@H]1N(C(CCl)=O)CCC1
Synonyms	(R)-1-(2-chloroacetyl)pyrrolidine-2-carbonitrile, 565452-98-4, (2R)-1-(Chloroacetyl)-2-pyrrolidinecarbonitrile, SCHEMBL3396562, DTXSID60448343, YCWRPKBYQZOLCD-ZCFIWIBFSA-N, FCH889579, MFCD11215489, ZINC32098818, AKOS016015839, AB63799, AJ-84636, AX8258329, DB-013603, FT-0772624, (R)-1-(2'-Chloroacetyl)pyrrolidine-2-carbonitrile, 2-Pyrrolidinecarbonitrile, 1-(chloroacetyl)-, (2R)-, I14-15908, 2-Pyrrolidinecarbonitrile,1- -, -, CID10920982, (2R)-1-(2-chloroacetyl)pyrrolidine-2-carbonitrile, 2-Pyrrolidinecarbonitrile, 1-(chloroacetyl)-, (2R)- (9CI),

Complexity	208
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	172.04g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	172.612g/mol
Monoisotopic Mass	172.04g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	44.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

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