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208165-95-1 | Benzene, 1-bromo-4-fluoro-5-methyl-2-nitro-
CAS No: 208165-95-1 Catalog No: AG002JIS MDL No:MFCD11053879
Product Description
Catalog Number:
AG002JIS
Chemical Name:
Benzene, 1-bromo-4-fluoro-5-methyl-2-nitro-
CAS Number:
208165-95-1
Molecular Formula:
C7H5BrFNO2
Molecular Weight:
234.0225
MDL Number:
MFCD11053879
IUPAC Name:
1-bromo-4-fluoro-5-methyl-2-nitrobenzene
InChI:
InChI=1S/C7H5BrFNO2/c1-4-2-5(8)7(10(11)12)3-6(4)9/h2-3H,1H3
InChI Key:
GQKJGQRSKKRVSO-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(F)c(cc1Br)C
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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