AG002J4N

207557-35-5 | 2-Pyrrolidinecarbonitrile, 1-(2-chloroacetyl)-, (2S)-

AG002J4N

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CAS Number	207557-35-5
Catalog Number	AG002J4N(AGN-PC-0O7NPS)
Chemical Name	2-Pyrrolidinecarbonitrile, 1-(2-chloroacetyl)-, (2S)-
EC Number	807-388-8
IUPAC Name	(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
InChI Key	YCWRPKBYQZOLCD-LURJTMIESA-N
MDL Number	MFCD08689902
Molecular Formula	C7H9ClN2O
Molecular Weight	172.6122
SMILES	N#C[C@H]1N(C(CCl)=O)CCC1
Synonyms	207557-35-5, (2S)-1-(Chloroacetyl)-2-pyrrolidinecarbonitrile, (S)-1-(2-Chloroacetyl)pyrrolidine-2-carbonitrile, (S)-1-(2-Chloroacetyl)-pyrrolidine-2-carbonitrile, (2S)-1-(2-chloroacetyl)pyrrolidine-2-carbonitrile, (S)-1-(2-Chloro-acetyl)-pyrrolidine-2-carbonitrile, 2-Pyrrolidinecarbonitrile, 1-(2-chloroacetyl)-, (2S)-, (2S)-1-(chloroacetyl)pyrrolidine-2-carbonitrile, Q-200012, 2-Pyrrolidinecarbonitrile, 1-(chloroacetyl)-, (2S)-, AK-44963, PubChem16324, (2R)-1-(Chloroacetyl)-2-pyrrolidinecarbonitrile, KSC201Q9R, SCHEMBL605418, Jsp004252, CTK1A1898, DTXSID00454201, YCWRPKBYQZOLCD-LURJTMIESA-N, ACT04998, CS-D1786, ANW-47909, FCH862432, MFCD08689902, SBB066751, ZINC16697477, AKOS006291018, AKOS016015838, AB48307, AC-8547, ACN-051098, AN-1156, CC-1867, RP23497, (2S)-N-chloroacetyl-2-cyanopyrrolidine, ACM207557355, AJ-69351, BR-44963, DS-13426, AB0002318, AB1008532, AX8044668, DB-009115, RT-003335, ST2402713, AM20090696, FT-0630203, 1-(Chloroacetyl)pyrrolidine-2alpha-carbonitrile, S-2767, (2S)-1-Chloroacetyl-2-pyrrolidine carbonitrile, 1-(2-Chloroacetyl)pyrrolidine-2-(S)-carbonitrile, 557C355, (S)-1-(2'-Chloroacetyl)pyrrolidine-2-carbonitrile, (S)-1-(2-Chloro-acetyl)pyrrolidine-2-carbonitrile, null, C7H9ClN2O, -1- -2-pyrrolidinecarbonitrile, RW2428, CB11986, CID11073883, V0017, (2R)-1-(2-chloroacetyl)pyrrolidine-2-carbonitrile, 2-Pyrrolidinecarbonitrile, 1-(chloroacetyl)-, (2S)- (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-H315-H319-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

Lot Number