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24755-82-6 | 5-Pyrimidinecarboxylic acid, 4-chloro-2-phenyl-, ethyl ester
CAS No: 24755-82-6 Catalog No: AG002PB7 MDL No:MFCD01935974
Product Description
Catalog Number:
AG002PB7
Chemical Name:
5-Pyrimidinecarboxylic acid, 4-chloro-2-phenyl-, ethyl ester
CAS Number:
24755-82-6
Molecular Formula:
C13H11ClN2O2
Molecular Weight:
262.6916
MDL Number:
MFCD01935974
IUPAC Name:
ethyl 4-chloro-2-phenylpyrimidine-5-carboxylate
InChI:
InChI=1S/C13H11ClN2O2/c1-2-18-13(17)10-8-15-12(16-11(10)14)9-6-4-3-5-7-9/h3-8H,2H2,1H3
InChI Key:
VXWYTPARKVGWFX-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnc(nc1Cl)c1ccccc1
NSC Number:
44687
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.051g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.693g/mol
Monoisotopic Mass:
262.051g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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