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149903-77-5 | Benzoic acid, 2-chloro-5-fluoro-4-nitro-
CAS No: 149903-77-5 Catalog No: AG001M3O MDL No:
Product Description
Catalog Number:
AG001M3O
Chemical Name:
Benzoic acid, 2-chloro-5-fluoro-4-nitro-
CAS Number:
149903-77-5
Molecular Formula:
C7H3ClFNO4
Molecular Weight:
219.5544
IUPAC Name:
2-chloro-5-fluoro-4-nitrobenzoic acid
InChI:
InChI=1S/C7H3ClFNO4/c8-4-2-6(10(13)14)5(9)1-3(4)7(11)12/h1-2H,(H,11,12)
InChI Key:
LXUZKEKXMXCKHZ-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(F)c(cc1Cl)[N+](=O)[O-]
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.973g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.552g/mol
Monoisotopic Mass:
218.973g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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