AG004O8K

858269-13-3 | Methyl 4-amino-2-chloropyrimidine-5-carboxylate

AG004O8K

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CAS Number	858269-13-3
Catalog Number	AG004O8K(AGN-PC-086DLZ)
Chemical Name	Methyl 4-amino-2-chloropyrimidine-5-carboxylate
IUPAC Name	methyl 4-amino-2-chloropyrimidine-5-carboxylate
InChI	InChI=1S/C6H6ClN3O2/c1-12-5(11)3-2-9-6(7)10-4(3)8/h2H,1H3,(H2,8,9,10)
InChI Key	VAMYEORYRWNWDD-UHFFFAOYSA-N
MDL Number	MFCD14585039
Molecular Formula	C6H6ClN3O2
Molecular Weight	187.5837
SMILES	NC1=NC(=NC=C1C(=O)OC)Cl
Synonyms	METHYL 4-AMINO-2-CHLOROPYRIMIDINE-5-CARBOXYLATE, 858269-13-3, methyl4-amino-2-chloropyrimidine-5-carboxylate, AK-39620, CTK5F5796, KS-00000IUP, DTXSID70677829, ANW-50390, MFCD14585039, ZINC49582219, AKOS015854836, AB70540, FCH1165785, QC-5722, BR-39620, DS-13867, AB0027044, AJ-111124, AX8182924, DB-014873, TR-038022, 4CH-009578, AM20110232, FT-0682499, ST24031082, W8827, S-6656, I14-14495, C6H6ClN3O2, ACN-039099, A10257, 4-AMINO-2-CHLORO-PYRIMIDINE-5-CARBOXYLIC ACID METHYL ESTER,

Complexity	178
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	187.015g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	187.583g/mol
Monoisotopic Mass	187.015g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	78.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

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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