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1150163-89-5 | 5-Pyrimidinecarboxylic acid, 2-amino-4-(3-chlorophenyl)-, methyl ester
CAS No: 1150163-89-5 Catalog No: AG000FO3 MDL No:MFCD12026012
Product Description
Catalog Number:
AG000FO3
Chemical Name:
5-Pyrimidinecarboxylic acid, 2-amino-4-(3-chlorophenyl)-, methyl ester
CAS Number:
1150163-89-5
Molecular Formula:
C12H10ClN3O2
Molecular Weight:
263.6797
MDL Number:
MFCD12026012
IUPAC Name:
methyl 2-amino-4-(3-chlorophenyl)pyrimidine-5-carboxylate
InChI:
InChI=1S/C12H10ClN3O2/c1-18-11(17)9-6-15-12(14)16-10(9)7-3-2-4-8(13)5-7/h2-6H,1H3,(H2,14,15,16)
InChI Key:
PTDABCBHVHXZRI-UHFFFAOYSA-N
SMILES:
COC(=O)c1cnc(nc1c1cccc(c1)Cl)N
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.046g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
263.681g/mol
Monoisotopic Mass:
263.046g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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