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Home > Fluorides > 1079992-96-3
1079992-96-3 | 6-Fluoro-2-methyl-3-nitrobenzoic acid
CAS No: 1079992-96-3 Catalog No: AG003AGE MDL No:MFCD28347722
Product Description
Catalog Number:
AG003AGE
Chemical Name:
6-Fluoro-2-methyl-3-nitrobenzoic acid
CAS Number:
1079992-96-3
Molecular Formula:
C8H6FNO4
Molecular Weight:
199.1359
MDL Number:
MFCD28347722
IUPAC Name:
6-fluoro-2-methyl-3-nitrobenzoic acid
InChI:
InChI=1S/C8H6FNO4/c1-4-6(10(13)14)3-2-5(9)7(4)8(11)12/h2-3H,1H3,(H,11,12)
InChI Key:
DEPIFWRMRCNBGQ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(c(c1C)C(=O)O)F
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.028g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
199.137g/mol
Monoisotopic Mass:
199.028g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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