Home Halogens Phenol, 4-bromo-3-fluoro-6-nitro-2-(trifluoromethyl)-

Phenol, 4-bromo-3-fluoro-6-nitro-2-(trifluoromethyl)-

CAS No.:
1445995-81-2
Catalog Number:
AG001JT8
Molecular Formula:
C7H2BrF4NO3
Molecular Weight:
303.9933
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Product Description
Catalog Number:
AG001JT8
Chemical Name:
Phenol, 4-bromo-3-fluoro-6-nitro-2-(trifluoromethyl)-
CAS Number:
1445995-81-2
Molecular Formula:
C7H2BrF4NO3
Molecular Weight:
303.9933
MDL Number:
MFCD25541892
IUPAC Name:
4-bromo-3-fluoro-6-nitro-2-(trifluoromethyl)phenol
InChI:
InChI=1S/C7H2BrF4NO3/c8-2-1-3(13(15)16)6(14)4(5(2)9)7(10,11)12/h1,14H
InChI Key:
MWZVZNTWIAKZED-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(Br)c(c(c1O)C(F)(F)F)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:
302.915g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
303.995g/mol
Monoisotopic Mass:
302.915g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Properties