AG00256K

17722-12-2 | Acetamide, N-(3-chlorophenyl)-2-cyano-

AG00256K

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CAS Number	17722-12-2
Catalog Number	AG00256K(AGN-PC-0JUU76)
Chemical Name	Acetamide, N-(3-chlorophenyl)-2-cyano-
IUPAC Name	N-(3-chlorophenyl)-2-cyanoacetamide
InChI	InChI=1S/C9H7ClN2O/c10-7-2-1-3-8(6-7)12-9(13)4-5-11/h1-3,6H,4H2,(H,12,13)
InChI Key	JHGKLDZJAHYJIP-UHFFFAOYSA-N
MDL Number	MFCD00828748
Molecular Formula	C9H7ClN2O
Molecular Weight	194.6177
SMILES	ClC1=CC(NC(CC#N)=O)=CC=C1
Synonyms	N-(3-chlorophenyl)-2-cyanoacetamide, 17722-12-2, N-(3-Chloro-phenyl)-2-cyano-acetamide, Acetamide,N-(3-chlorophenyl)-2-cyano-, Acetamide, N-(3-chlorophenyl)-2-cyano-, Maybridge1_001572, AC1LE32R, AC1Q3IC1, SCHEMBL8996041, CTK4D6435, HMS545P10, KS-00003HPR, ZINC43859, DTXSID00350451, JHGKLDZJAHYJIP-UHFFFAOYSA-N, N-(3-chlorophenyl) cyanoacetamide, ALBB-008530, 5915AD, BBL016431, HTS001194, MFCD00828748, SBB003599, STK422108, AKOS000115050, N-(3-chlorophenyl)-2-cyano-acetamide, 2-Cyano-N-(3-chlorophenyl)-acetamide, BS-4074, MCULE-8753605317, ST021005, ZB001346, AB0154813, TR-008088, BB 0218801, FT-0679385, R3882, EN300-01397, I14-28548, C9H7ClN2O, CID679494, ZINC00043859,

Complexity	233
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	194.025g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	194.618g/mol
Monoisotopic Mass	194.025g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	52.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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