Home Nitros 3-fluoro-4-methyl-5-nitrobenzoic acid

3-fluoro-4-methyl-5-nitrobenzoic acid

CAS No.:
400-88-4
Catalog Number:
AG019UZO
Molecular Formula:
C8H6FNO4
Molecular Weight:
199.1359
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Product Description
Catalog Number:
AG019UZO
Chemical Name:
3-fluoro-4-methyl-5-nitrobenzoic acid
CAS Number:
400-88-4
Molecular Formula:
C8H6FNO4
Molecular Weight:
199.1359
MDL Number:
MFCD11858054
IUPAC Name:
3-fluoro-4-methyl-5-nitrobenzoic acid
InChI:
InChI=1S/C8H6FNO4/c1-4-6(9)2-5(8(11)12)3-7(4)10(13)14/h2-3H,1H3,(H,11,12)
InChI Key:
ZQBWRQKRMZXTKX-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(cc(c1C)F)C(=O)O
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:
1.6  
Properties