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1245101-31-8 | 1H-Pyrazole-4-carboxylic acid, 5-chloro-1-(3-fluorophenyl)-, ethyl ester
CAS No: 1245101-31-8 Catalog No: AG000M4M MDL No:MFCD17206151
Product Description
Catalog Number:
AG000M4M
Chemical Name:
1H-Pyrazole-4-carboxylic acid, 5-chloro-1-(3-fluorophenyl)-, ethyl ester
CAS Number:
1245101-31-8
Molecular Formula:
C12H10ClFN2O2
Molecular Weight:
268.6714
MDL Number:
MFCD17206151
IUPAC Name:
ethyl 5-chloro-1-(3-fluorophenyl)pyrazole-4-carboxylate
InChI:
InChI=1S/C12H10ClFN2O2/c1-2-18-12(17)10-7-15-16(11(10)13)9-5-3-4-8(14)6-9/h3-7H,2H2,1H3
InChI Key:
MLAHQIOGTWZZRN-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnn(c1Cl)c1cccc(c1)F
Properties
Complexity:
306
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:
3.2
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