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1196152-00-7 | 4-Pyrimidinecarboxylic acid, 2-chloro-, ethyl ester
CAS No: 1196152-00-7 Catalog No: AG000PBL MDL No:MFCD08275109
Product Description
Catalog Number:
AG000PBL
Chemical Name:
4-Pyrimidinecarboxylic acid, 2-chloro-, ethyl ester
CAS Number:
1196152-00-7
Molecular Formula:
C7H7ClN2O2
Molecular Weight:
186.5957
MDL Number:
MFCD08275109
IUPAC Name:
ethyl 2-chloropyrimidine-4-carboxylate
InChI:
InChI=1S/C7H7ClN2O2/c1-2-12-6(11)5-3-4-9-7(8)10-5/h3-4H,2H2,1H3
InChI Key:
PWNAFFKEIJSHRD-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccnc(n1)Cl
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.02g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.595g/mol
Monoisotopic Mass:
186.02g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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