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288251-65-0 | 1H-Pyrazole-5-carboxylic acid, 1-(4-fluorophenyl)-3-methyl-
CAS No: 288251-65-0 Catalog No: AG002WNZ MDL No:MFCD06408994
Product Description
Catalog Number:
AG002WNZ
Chemical Name:
1H-Pyrazole-5-carboxylic acid, 1-(4-fluorophenyl)-3-methyl-
CAS Number:
288251-65-0
Molecular Formula:
C11H9FN2O2
Molecular Weight:
220.1998
MDL Number:
MFCD06408994
IUPAC Name:
2-(4-fluorophenyl)-5-methylpyrazole-3-carboxylic acid
InChI:
InChI=1S/C11H9FN2O2/c1-7-6-10(11(15)16)14(13-7)9-4-2-8(12)3-5-9/h2-6H,1H3,(H,15,16)
InChI Key:
GKPPJKYOHIYGGZ-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)n1nc(cc1C(=O)O)C
Properties
Complexity:
267
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:
2
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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