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95668-21-6 | 1-Bromo-2-nitro-4-(trifluoromethoxy);benzene
CAS No: 95668-21-6 Catalog No: AG003GP4 MDL No:MFCD13194446
Product Description
Catalog Number:
AG003GP4
Chemical Name:
1-Bromo-2-nitro-4-(trifluoromethoxy);benzene
CAS Number:
95668-21-6
Molecular Formula:
C7H3BrF3NO3
Molecular Weight:
286.0028
MDL Number:
MFCD13194446
IUPAC Name:
1-bromo-2-nitro-4-(trifluoromethoxy)benzene
InChI:
InChI=1S/C7H3BrF3NO3/c8-5-2-1-4(15-7(9,10)11)3-6(5)12(13)14/h1-3H
InChI Key:
LHWANFWEBHKYCZ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1Br)OC(F)(F)F
Properties
Complexity:
243
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:
0
Isotope Atom Count:
0
Molecular Weight:
286.004g/mol
Monoisotopic Mass:
284.925g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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