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1220039-65-5 | Pyrido[3,4-d]pyrimidine-2-carboxylic acid, 4-chloro-, methyl ester
CAS No: 1220039-65-5 Catalog No: AG0016KW MDL No:MFCD13195306
Product Description
Catalog Number:
AG0016KW
Chemical Name:
Pyrido[3,4-d]pyrimidine-2-carboxylic acid, 4-chloro-, methyl ester
CAS Number:
1220039-65-5
Molecular Formula:
C9H6ClN3O2
Molecular Weight:
223.6158
MDL Number:
MFCD13195306
IUPAC Name:
methyl 4-chloropyrido[3,4-d]pyrimidine-2-carboxylate
InChI:
InChI=1S/C9H6ClN3O2/c1-15-9(14)8-12-6-4-11-3-2-5(6)7(10)13-8/h2-4H,1H3
InChI Key:
ZYOTXZCWBGAGRH-UHFFFAOYSA-N
SMILES:
COC(=O)c1nc2cnccc2c(n1)Cl
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.015g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.616g/mol
Monoisotopic Mass:
223.015g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
65A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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