AG00IAOV

60331-15-9 | 4-Chloro-6-methoxy-2-methyl-5-nitropyrimidine

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CAS Number	60331-15-9
Catalog Number	AG00IAOV(AGN-PC-00Q1YP)
Chemical Name	4-Chloro-6-methoxy-2-methyl-5-nitropyrimidine
IUPAC Name	4-chloro-6-methoxy-2-methyl-5-nitropyrimidine
InChI	InChI=1S/C6H6ClN3O3/c1-3-8-5(7)4(10(11)12)6(9-3)13-2/h1-2H3
InChI Key	XENBELIGWDKZOP-UHFFFAOYSA-N
MDL Number	MFCD29922356
Molecular Formula	C6H6ClN3O3
Molecular Weight	203.5831
SMILES	O=[N+](C1=C(OC)N=C(C)N=C1Cl)[O-]
Synonyms	4-Chloro-6-methoxy-2-methyl-5-nitropyrimidine, 60331-15-9, Pyrimidine, 4-chloro-6-methoxy-2-methyl-5-nitro-, SCHEMBL3102887, CTK2F0724, DTXSID10576246, XENBELIGWDKZOP-UHFFFAOYSA-N, KS-00000LE2, MFCD29922356, ZINC34616654, AKOS027338251, FCH5451322, GS-5557, 1,4-Phenylenediboronic acid,pinacol ester, AK340276, CS-0043154, 2-methyl-4-methoxy-6-chloro-5-nitropyrimidine, 2-methyl-4-methoxy-5-nitro-6-chloro-pyrimidine,

Complexity	198
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	203.01g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	203.582g/mol
Monoisotopic Mass	203.01g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	80.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

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

Lot Number