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Home > Fluorides > 1141669-65-9
1141669-65-9 | Benzoic acid, 4-fluoro-5-(1H-imidazol-1-yl)-2-nitro-
CAS No: 1141669-65-9 Catalog No: AG000APN MDL No:MFCD11656823
Product Description
Catalog Number:
AG000APN
Chemical Name:
Benzoic acid, 4-fluoro-5-(1H-imidazol-1-yl)-2-nitro-
CAS Number:
1141669-65-9
Molecular Formula:
C10H6FN3O4
Molecular Weight:
251.1707
MDL Number:
MFCD11656823
IUPAC Name:
4-fluoro-5-imidazol-1-yl-2-nitrobenzoic acid
InChI:
InChI=1S/C10H6FN3O4/c11-7-4-8(14(17)18)6(10(15)16)3-9(7)13-2-1-12-5-13/h1-5H,(H,15,16)
InChI Key:
MRXQKKIAHFIDNX-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(c(cc1[N+](=O)[O-])F)n1cncc1
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:
1.1
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