AG000XKP

127913-44-4 | Butanenitrile, 4-chloro-3-hydroxy-, (3S)-

AG000XKP

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CAS Number	127913-44-4
Catalog Number	AG000XKP(AGN-PC-0O0UFE)
Chemical Name	Butanenitrile, 4-chloro-3-hydroxy-, (3S)-
IUPAC Name	(3S)-4-chloro-3-hydroxybutanenitrile
InChI	InChI=1S/C4H6ClNO/c5-3-4(7)1-2-6/h4,7H,1,3H2/t4-/m0/s1
InChI Key	LHBPNZDUNCZWFL-BYPYZUCNSA-N
MDL Number	MFCD00273363
Molecular Formula	C4H6ClNO
Molecular Weight	119.5495
SMILES	ClC[C@H](CC#N)O
Synonyms	(S)-4-Chloro-3-hydroxybutyronitrile, 127913-44-4, (s)-4-chloro-3-hydroxybutanenitrile, (S)-(-)-4-Chloro-3-hydroxybutyronitrile, (3S)-4-chloro-3-hydroxybutanenitrile, Butanenitrile, 4-chloro-3-hydroxy-, (3S)-, (S)-(-)-4-chloro 3-hydroxybutyronitrile, C4H6ClNO, 4-Chloro-3-hydroxy-butyronitrile, AK-33074, PubChem5929, AC1ODT3K, (s)-4-chloro-3-hydro, KSC495M7R, SCHEMBL2685349, Jsp001749, CTK3J5678, DTXSID80427251, ACT02384, ZINC2564700, ANW-47499, CC0208, FCH833742, MFCD00273363, (S)-3-Hydroxy-4-chlorobutanenitrile, AKOS006237609, (3S)-4-Chloro-3-hydroxybutyronitrile, AM81472, CC-1251, LS30056, s-(-)-4-chloro-3-hydorxy butyronitrile, AJ-41040, AS-12916, BC219650, BR-33074, CC-01425, CJ-09679, SC-00699, (s)-4-chloro-3-hydroxybutyronitrile 98+%, AB0012587, AX8009434, DB-005035, RT-002636, ST2408332, TL8000687, FT-0601496, KS-00000942, S-3359, 913C444, C-00758, (s)-(-)-4-chloro-3-hydroxybutyronitrile, 97%, ee 98%, (s)-(-)-4-chloro-3-hydroxybutyronitrile, 97% (97% ee/glc), (S)-3-(1-aminoethyl)benzonitrile, ZINC02564699, (R)-4-Chloro-3-hydroxybutyronitrile, (S)-4-Chloro-3-hydroxy-butyronitrile, ACN-038062, CB11391, CID7020425, (S)-(-)-4-chloro?3-hydroxybutyronitrile, C3331, (S)-4-Chloro-3-hydroxybutyronitrile, 98% - 1G 1g, 84367-31-7,

Complexity	84.9
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	119.014g/mol
Formal Charge	0
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	119.548g/mol
Monoisotopic Mass	119.014g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	44A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number