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206759-48-0 | Phenol, 2-bromo-6-nitro-4-(trifluoromethyl)-
CAS No: 206759-48-0 Catalog No: AG002INL MDL No:MFCD01569845
Product Description
Catalog Number:
AG002INL
Chemical Name:
Phenol, 2-bromo-6-nitro-4-(trifluoromethyl)-
CAS Number:
206759-48-0
Molecular Formula:
C7H3BrF3NO3
Molecular Weight:
286.0028
MDL Number:
MFCD01569845
IUPAC Name:
2-bromo-6-nitro-4-(trifluoromethyl)phenol
InChI:
InChI=1S/C7H3BrF3NO3/c8-4-1-3(7(9,10)11)2-5(6(4)13)12(14)15/h1-2,13H
InChI Key:
MPBXDOKYQAZNPP-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(cc(c1O)Br)C(F)(F)F
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.925g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
286.004g/mol
Monoisotopic Mass:
284.925g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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