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139194-80-2 | Benzene, 1-bromo-3-(bromomethyl)-5-nitro-
CAS No: 139194-80-2 Catalog No: AG001AHB MDL No:MFCD11040230
Product Description
Catalog Number:
AG001AHB
Chemical Name:
Benzene, 1-bromo-3-(bromomethyl)-5-nitro-
CAS Number:
139194-80-2
Molecular Formula:
C7H5Br2NO2
Molecular Weight:
294.9281
MDL Number:
MFCD11040230
IUPAC Name:
1-bromo-3-(bromomethyl)-5-nitrobenzene
InChI:
InChI=1S/C7H5Br2NO2/c8-4-5-1-6(9)3-7(2-5)10(11)12/h1-3H,4H2
InChI Key:
LUTXVMDOMLHNIX-UHFFFAOYSA-N
SMILES:
BrCc1cc(Br)cc(c1)[N+](=O)[O-]
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.867g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.93g/mol
Monoisotopic Mass:
292.869g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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