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1269293-49-3 | 1H-Pyrazole-3-carboxylic acid, 5-chloro-1-(4-fluorophenyl)-, ethyl ester
CAS No: 1269293-49-3 Catalog No: AG000WD9 MDL No:MFCD17215133
Product Description
Catalog Number:
AG000WD9
Chemical Name:
1H-Pyrazole-3-carboxylic acid, 5-chloro-1-(4-fluorophenyl)-, ethyl ester
CAS Number:
1269293-49-3
Molecular Formula:
C12H10ClFN2O2
Molecular Weight:
268.6714
MDL Number:
MFCD17215133
IUPAC Name:
ethyl 5-chloro-1-(4-fluorophenyl)pyrazole-3-carboxylate
InChI:
InChI=1S/C12H10ClFN2O2/c1-2-18-12(17)10-7-11(13)16(15-10)9-5-3-8(14)4-6-9/h3-7H,2H2,1H3
InChI Key:
MLTLSZIMBBUFBP-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nn(c(c1)Cl)c1ccc(cc1)F
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.041g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.672g/mol
Monoisotopic Mass:
268.041g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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