AG00IKBC

99586-66-0 | 2-Amino-4-chloro-6-methylpyrimidine-5-carbonitrile

AG00IKBC

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CAS Number	99586-66-0
Catalog Number	AG00IKBC(AGN-PC-0WA61W)
Chemical Name	2-Amino-4-chloro-6-methylpyrimidine-5-carbonitrile
IUPAC Name	2-amino-4-chloro-6-methylpyrimidine-5-carbonitrile
InChI	InChI=1S/C6H5ClN4/c1-3-4(2-8)5(7)11-6(9)10-3/h1H3,(H2,9,10,11)
InChI Key	BUGYLQNXUJUMKZ-UHFFFAOYSA-N
MDL Number	MFCD20704020
Molecular Formula	C6H5ClN4
Molecular Weight	168.5837
SMILES	N#CC1=C(C)N=C(N)N=C1Cl
Synonyms	2-Amino-4-chloro-6-methylpyrimidine-5-carbonitrile, 99586-66-0, SCHEMBL11900926, BUGYLQNXUJUMKZ-UHFFFAOYSA-N, KS-000004GF, 4712AF, MFCD20704020, ZINC95704747, AKOS024462737, SB11652, AK159146, AS-46577, SC-92949, AJ-133565, ST1140965, CS-0040055, C6H5ClN4, 2-amino-4-chloro-6-methyl-5-Pyrimidinecarbonitrile, 2-Amino-4-chloro-6-methylpyrimidine-5-carbonitrile, 95% - 1G 1g,

Complexity	186
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	168.02g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	168.584g/mol
Monoisotopic Mass	168.02g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	75.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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