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14027-75-9 | Benzoic acid, 3-fluoro-5-nitro-
CAS No: 14027-75-9 Catalog No: AG001C89 MDL No:MFCD05864360
Product Description
Catalog Number:
AG001C89
Chemical Name:
Benzoic acid, 3-fluoro-5-nitro-
CAS Number:
14027-75-9
Molecular Formula:
C7H4FNO4
Molecular Weight:
185.1094
MDL Number:
MFCD05864360
IUPAC Name:
3-fluoro-5-nitrobenzoic acid
InChI:
InChI=1S/C7H4FNO4/c8-5-1-4(7(10)11)2-6(3-5)9(12)13/h1-3H,(H,10,11)
InChI Key:
VIPUIECMSDQUIK-UHFFFAOYSA-N
SMILES:
Fc1cc(cc(c1)C(=O)O)[N+](=O)[O-]
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.012g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
185.11g/mol
Monoisotopic Mass:
185.012g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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