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1017784-36-9 | 1H-Pyrazole-4-carboxylic acid, 3-(4-fluorophenyl)-, methyl ester
CAS No: 1017784-36-9 Catalog No: AG0005JD MDL No:
Product Description
Catalog Number:
AG0005JD
Chemical Name:
1H-Pyrazole-4-carboxylic acid, 3-(4-fluorophenyl)-, methyl ester
CAS Number:
1017784-36-9
Molecular Formula:
C11H9FN2O2
Molecular Weight:
220.1998
IUPAC Name:
methyl 5-(4-fluorophenyl)-1H-pyrazole-4-carboxylate
InChI:
InChI=1S/C11H9FN2O2/c1-16-11(15)9-6-13-14-10(9)7-2-4-8(12)5-3-7/h2-6H,1H3,(H,13,14)
InChI Key:
NWTXJKXDLBSRDG-UHFFFAOYSA-N
SMILES:
COC(=O)c1c[nH]nc1c1ccc(cc1)F
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.065g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.203g/mol
Monoisotopic Mass:
220.065g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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