AG001WST

1665288-67-4 | Pyrido[2,3-d]pyrimidine-8(5H)-carboxylic acid, 2,4-dichloro-6,7-dihydro-, phenylmethyl ester

AG001WST

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CAS Number	1665288-67-4
Catalog Number	AG001WST(AGN-PC-0WANGO)
Chemical Name	Pyrido[2,3-d]pyrimidine-8(5H)-carboxylic acid, 2,4-dichloro-6,7-dihydro-, phenylmethyl ester
IUPAC Name	benzyl 2,4-dichloro-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine-8-carboxylate
InChI	InChI=1S/C15H13Cl2N3O2/c16-12-11-7-4-8-20(13(11)19-14(17)18-12)15(21)22-9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2
InChI Key	RJBGTWTYOSAAOL-UHFFFAOYSA-N
MDL Number	MFCD28369465
Molecular Formula	C15H13Cl2N3O2
Molecular Weight	338.1886
SMILES	O=C(N1CCCC2=C(Cl)N=C(Cl)N=C21)OCC3=CC=CC=C3
Synonyms	Benzyl 2,4-dichloro-6,7-dihydropyrido[2,3-d]pyrimidine-8(5H)-carboxylate, 1665288-67-4, AK164280, KS-00000SRQ, MFCD28369465, AKOS025146607, ZINC215771100, DS-8452, ST24046078, Pyrido[2,3-d]pyrimidine-8(5H)-carboxylic acid, 2,4-dichloro-6,7-dihydro-, phenylmethyl ester,

Complexity	393
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	337.038g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	338.188g/mol
Monoisotopic Mass	337.038g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	55.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.1

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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