Home Nitros Benzoic acid,2,3,6-trifluoro-5-nitro-

Benzoic acid,2,3,6-trifluoro-5-nitro-

CAS No.:
114151-54-1
Catalog Number:
AG0096M9
Molecular Formula:
C7H2F3NO4
Molecular Weight:
221.0903
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Product Description
Catalog Number:
AG0096M9
Chemical Name:
Benzoic acid,2,3,6-trifluoro-5-nitro-
CAS Number:
114151-54-1
Molecular Formula:
C7H2F3NO4
Molecular Weight:
221.0903
MDL Number:
MFCD28346292
IUPAC Name:
2,3,6-trifluoro-5-nitrobenzoic acid
InChI:
InChI=1S/C7H2F3NO4/c8-2-1-3(11(14)15)6(10)4(5(2)9)7(12)13/h1H,(H,12,13)
InChI Key:
QYEARBVAXUPCMX-UHFFFAOYSA-N
SMILES:
Fc1cc([N+](=O)[O-])c(c(c1F)C(=O)O)F
Properties
Complexity:
282  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.994g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
221.091g/mol
Monoisotopic Mass:
220.994g/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