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114776-15-7 | Benzoic acid, 2-chloro-4-fluoro-5-nitro-
CAS No: 114776-15-7 Catalog No: AG000F6P MDL No:MFCD04115715
Product Description
Catalog Number:
AG000F6P
Chemical Name:
Benzoic acid, 2-chloro-4-fluoro-5-nitro-
CAS Number:
114776-15-7
Molecular Formula:
C7H3ClFNO4
Molecular Weight:
219.5544
MDL Number:
MFCD04115715
IUPAC Name:
2-chloro-4-fluoro-5-nitrobenzoic acid
InChI:
InChI=1S/C7H3ClFNO4/c8-4-2-5(9)6(10(13)14)1-3(4)7(11)12/h1-2H,(H,11,12)
InChI Key:
SYZKAFCPWNFONG-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(C(=O)O)c(cc1F)Cl
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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