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1227958-54-4 | Pyrido[2,3-d]pyrimidine-7-carboxylic acid, 2-chloro-4-(4-morpholinyl)-, methyl ester
CAS No: 1227958-54-4 Catalog No: AG000JHA MDL No:MFCD21648263
Product Description
Catalog Number:
AG000JHA
Chemical Name:
Pyrido[2,3-d]pyrimidine-7-carboxylic acid, 2-chloro-4-(4-morpholinyl)-, methyl ester
CAS Number:
1227958-54-4
Molecular Formula:
C13H13ClN4O3
Molecular Weight:
308.7203
MDL Number:
MFCD21648263
IUPAC Name:
methyl 2-chloro-4-morpholin-4-ylpyrido[2,3-d]pyrimidine-7-carboxylate
InChI:
InChI=1S/C13H13ClN4O3/c1-20-12(19)9-3-2-8-10(15-9)16-13(14)17-11(8)18-4-6-21-7-5-18/h2-3H,4-7H2,1H3
InChI Key:
YUFPNTVTPKNZLN-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc2c(n1)nc(nc2N1CCOCC1)Cl
Properties
Complexity:
380
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.068g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.722g/mol
Monoisotopic Mass:
308.068g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
77.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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