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1266238-63-4 | 4-Pyrimidinecarboxylic acid, 2,6-dichloro-5-fluoro-, ethyl ester
CAS No: 1266238-63-4 Catalog No: AG000T0S MDL No:MFCD29065911
Product Description
Catalog Number:
AG000T0S
Chemical Name:
4-Pyrimidinecarboxylic acid, 2,6-dichloro-5-fluoro-, ethyl ester
CAS Number:
1266238-63-4
Molecular Formula:
C7H5Cl2FN2O2
Molecular Weight:
239.0312
MDL Number:
MFCD29065911
IUPAC Name:
ethyl 2,6-dichloro-5-fluoropyrimidine-4-carboxylate
InChI:
InChI=1S/C7H5Cl2FN2O2/c1-2-14-6(13)4-3(10)5(8)12-7(9)11-4/h2H2,1H3
InChI Key:
ODLKLHFBCYZMKF-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nc(Cl)nc(c1F)Cl
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.971g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.027g/mol
Monoisotopic Mass:
237.971g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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