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Home > Bromides > 1003708-31-3
1003708-31-3 | Benzene, 2-bromo-1-nitro-4-(trifluoromethoxy)-
CAS No: 1003708-31-3 Catalog No: AG0001R4 MDL No:MFCD09839217
Product Description
Catalog Number:
AG0001R4
Chemical Name:
Benzene, 2-bromo-1-nitro-4-(trifluoromethoxy)-
CAS Number:
1003708-31-3
Molecular Formula:
C7H3BrF3NO3
Molecular Weight:
286.0028
MDL Number:
MFCD09839217
IUPAC Name:
2-bromo-1-nitro-4-(trifluoromethoxy)benzene
InChI:
InChI=1S/C7H3BrF3NO3/c8-5-3-4(15-7(9,10)11)1-2-6(5)12(13)14/h1-3H
InChI Key:
KIGJNTZXRXZBQO-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1Br)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:
3.6
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