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1240597-30-1 | 5-Pyrimidinecarboxylic acid, 2-amino-4-chloro-, ethyl ester
CAS No: 1240597-30-1 Catalog No: AG000LH4 MDL No:MFCD16987940
Product Description
Catalog Number:
AG000LH4
Chemical Name:
5-Pyrimidinecarboxylic acid, 2-amino-4-chloro-, ethyl ester
CAS Number:
1240597-30-1
Molecular Formula:
C7H8ClN3O2
Molecular Weight:
201.6103
MDL Number:
MFCD16987940
IUPAC Name:
ethyl 2-amino-4-chloropyrimidine-5-carboxylate
InChI:
InChI=1S/C7H8ClN3O2/c1-2-13-6(12)4-3-10-7(9)11-5(4)8/h3H,2H2,1H3,(H2,9,10,11)
InChI Key:
QQXMRTNJTHNBJF-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnc(nc1Cl)N
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.031g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
201.61g/mol
Monoisotopic Mass:
201.031g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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