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1133115-68-0 | Methyl 2-amino-4-(2-chlorophenyl);pyrimidine-5-carboxylate
CAS No: 1133115-68-0 Catalog No: AG003RMH MDL No:MFCD11855882
Product Description
Catalog Number:
AG003RMH
Chemical Name:
Methyl 2-amino-4-(2-chlorophenyl);pyrimidine-5-carboxylate
CAS Number:
1133115-68-0
Molecular Formula:
C12H10ClN3O2
Molecular Weight:
263.6797
MDL Number:
MFCD11855882
IUPAC Name:
methyl 2-amino-4-(2-chlorophenyl)pyrimidine-5-carboxylate
InChI:
InChI=1S/C12H10ClN3O2/c1-18-11(17)8-6-15-12(14)16-10(8)7-4-2-3-5-9(7)13/h2-6H,1H3,(H2,14,15,16)
InChI Key:
XQDWVQDZQSJIBP-UHFFFAOYSA-N
SMILES:
COC(=O)c1cnc(nc1c1ccccc1Cl)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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