Home Halogens 2-(bromomethyl)-4-nitro-1-(trifluoromethyl)benzene

2-(bromomethyl)-4-nitro-1-(trifluoromethyl)benzene

CAS No.:
1227587-81-6
Catalog Number:
AG01BCIE
Molecular Formula:
C8H5BrF3NO2
Molecular Weight:
284.0300
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Product Description
Catalog Number:
AG01BCIE
Chemical Name:
2-(bromomethyl)-4-nitro-1-(trifluoromethyl)benzene
CAS Number:
1227587-81-6
Molecular Formula:
C8H5BrF3NO2
Molecular Weight:
284.0300
MDL Number:
MFCD16606361
IUPAC Name:
2-(bromomethyl)-4-nitro-1-(trifluoromethyl)benzene
InChI:
InChI=1S/C8H5BrF3NO2/c9-4-5-3-6(13(14)15)1-2-7(5)8(10,11)12/h1-3H,4H2
InChI Key:
NDHBWUIBCMWLAA-UHFFFAOYSA-N
SMILES:
BrCc1cc(ccc1C(F)(F)F)[N+](=O)[O-]
Properties
Complexity:
241  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.946g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.032g/mol
Monoisotopic Mass:
282.946g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties