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1286330-15-1 | Pyrido[3,4-d]pyrimidine-2-carboxylic acid, 4-chloro-, ethyl ester
CAS No: 1286330-15-1 Catalog No: AG000Y9B MDL No:MFCD13250079
Product Description
Catalog Number:
AG000Y9B
Chemical Name:
Pyrido[3,4-d]pyrimidine-2-carboxylic acid, 4-chloro-, ethyl ester
CAS Number:
1286330-15-1
Molecular Formula:
C10H8ClN3O2
Molecular Weight:
237.6424
MDL Number:
MFCD13250079
IUPAC Name:
ethyl 4-chloropyrido[3,4-d]pyrimidine-2-carboxylate
InChI:
InChI=1S/C10H8ClN3O2/c1-2-16-10(15)9-13-7-5-12-4-3-6(7)8(11)14-9/h3-5H,2H2,1H3
InChI Key:
CXNRMZKFJOXKMC-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nc(Cl)c2c(n1)cncc2
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.031g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.643g/mol
Monoisotopic Mass:
237.031g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
65A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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