Home Nitros 2-Amino-5-nitro-4-(trifluoromethyl)phenol (FLU-3)

2-Amino-5-nitro-4-(trifluoromethyl)phenol (FLU-3)

CAS No.:
56987-02-1
Catalog Number:
AG00EFAS
Molecular Formula:
C7H5F3N2O3
Molecular Weight:
222.1214
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Product Description
Catalog Number:
AG00EFAS
Chemical Name:
2-Amino-5-nitro-4-(trifluoromethyl)phenol (FLU-3)
CAS Number:
56987-02-1
Molecular Formula:
C7H5F3N2O3
Molecular Weight:
222.1214
MDL Number:
MFCD16251196
IUPAC Name:
2-amino-5-nitro-4-(trifluoromethyl)phenol
InChI:
InChI=1S/C7H5F3N2O3/c8-7(9,10)3-1-4(11)6(13)2-5(3)12(14)15/h1-2,13H,11H2
InChI Key:
FKHIQXACMFXULG-UHFFFAOYSA-N
SMILES:
Oc1cc([N+](=O)[O-])c(cc1N)C(F)(F)F
Properties
Complexity:
253  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.025g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
222.123g/mol
Monoisotopic Mass:
222.025g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
92.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Literature
Title Journal
Effect of a conserved mutation in uridine diphosphate glucuronosyltransferase 1A1 and 1A6 on glucuronidation of a metabolite of flutamide. European journal of clinical pharmacology 20020401
Properties