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1017781-26-8 | 1H-Pyrazole-4-carboxylic acid, 1-(4-fluorophenyl)-5-[[(phenylmethoxy)carbonyl]amino]-
CAS No: 1017781-26-8 Catalog No: AG0005GZ MDL No:MFCD04115104
Product Description
Catalog Number:
AG0005GZ
Chemical Name:
1H-Pyrazole-4-carboxylic acid, 1-(4-fluorophenyl)-5-[[(phenylmethoxy)carbonyl]amino]-
CAS Number:
1017781-26-8
Molecular Formula:
C18H14FN3O4
Molecular Weight:
355.3199
MDL Number:
MFCD04115104
IUPAC Name:
1-(4-fluorophenyl)-5-(phenylmethoxycarbonylamino)pyrazole-4-carboxylic acid
InChI:
InChI=1S/C18H14FN3O4/c19-13-6-8-14(9-7-13)22-16(15(10-20-22)17(23)24)21-18(25)26-11-12-4-2-1-3-5-12/h1-10H,11H2,(H,21,25)(H,23,24)
InChI Key:
XUCMFOSBWBREHJ-UHFFFAOYSA-N
SMILES:
O=C(Nc1c(cnn1c1ccc(cc1)F)C(=O)O)OCc1ccccc1
Properties
Complexity:
493
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.097g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
355.325g/mol
Monoisotopic Mass:
355.097g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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