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Home > Bromides > 1463053-91-9
1463053-91-9 | Benzene, 2-bromo-5-fluoro-1-methyl-3-nitro-
CAS No: 1463053-91-9 Catalog No: AG001DV8 MDL No:MFCD27975467
Product Description
Catalog Number:
AG001DV8
Chemical Name:
Benzene, 2-bromo-5-fluoro-1-methyl-3-nitro-
CAS Number:
1463053-91-9
Molecular Formula:
C7H5BrFNO2
Molecular Weight:
234.0225
MDL Number:
MFCD27975467
IUPAC Name:
2-bromo-5-fluoro-1-methyl-3-nitrobenzene
InChI:
InChI=1S/C7H5BrFNO2/c1-4-2-5(9)3-6(7(4)8)10(11)12/h2-3H,1H3
InChI Key:
JJYQADGOVHRHAY-UHFFFAOYSA-N
SMILES:
Fc1cc(C)c(c(c1)[N+](=O)[O-])Br
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.949g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.024g/mol
Monoisotopic Mass:
232.949g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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