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Home > Fluorides > 1186663-21-7
1186663-21-7 | 4-Fluoro-2-nitro-5-(1H-pyrazol-1-yl)benzoic acid
CAS No: 1186663-21-7 Catalog No: AG003LEP MDL No:MFCD11656824
Product Description
Catalog Number:
AG003LEP
Chemical Name:
4-Fluoro-2-nitro-5-(1H-pyrazol-1-yl)benzoic acid
CAS Number:
1186663-21-7
Molecular Formula:
C10H6FN3O4
Molecular Weight:
251.1707
MDL Number:
MFCD11656824
IUPAC Name:
4-fluoro-2-nitro-5-pyrazol-1-ylbenzoic acid
InChI:
InChI=1S/C10H6FN3O4/c11-7-5-8(14(17)18)6(10(15)16)4-9(7)13-3-1-2-12-13/h1-5H,(H,15,16)
InChI Key:
XYFAPGQLTCVZOK-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(c(cc1[N+](=O)[O-])F)n1cccn1
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.034g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.173g/mol
Monoisotopic Mass:
251.034g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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