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1273315-62-0 | 5-Pyrimidinecarboxylic acid, 2-[(3-chlorophenyl)methyl]-4-(methylamino)-
CAS No: 1273315-62-0 Catalog No: AG000WWT MDL No:
Product Description
Catalog Number:
AG000WWT
Chemical Name:
5-Pyrimidinecarboxylic acid, 2-[(3-chlorophenyl)methyl]-4-(methylamino)-
CAS Number:
1273315-62-0
Molecular Formula:
C13H12ClN3O2
Molecular Weight:
277.7063
IUPAC Name:
2-[(3-chlorophenyl)methyl]-4-(methylamino)pyrimidine-5-carboxylic acid
InChI:
InChI=1S/C13H12ClN3O2/c1-15-12-10(13(18)19)7-16-11(17-12)6-8-3-2-4-9(14)5-8/h2-5,7H,6H2,1H3,(H,18,19)(H,15,16,17)
InChI Key:
HRGMMQYTTNZPJO-UHFFFAOYSA-N
SMILES:
CNc1nc(ncc1C(=O)O)Cc1cccc(c1)Cl
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.062g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
277.708g/mol
Monoisotopic Mass:
277.062g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
75.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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