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Home > Bromides > 1154278-17-7
1154278-17-7 | Benzoic acid, 5-bromo-2-fluoro-3-nitro-, methyl ester
CAS No: 1154278-17-7 Catalog No: AG000FZJ MDL No:MFCD12172992
Product Description
Catalog Number:
AG000FZJ
Chemical Name:
Benzoic acid, 5-bromo-2-fluoro-3-nitro-, methyl ester
CAS Number:
1154278-17-7
Molecular Formula:
C8H5BrFNO4
Molecular Weight:
278.0320
MDL Number:
MFCD12172992
IUPAC Name:
methyl 5-bromo-2-fluoro-3-nitrobenzoate
InChI:
InChI=1S/C8H5BrFNO4/c1-15-8(12)5-2-4(9)3-6(7(5)10)11(13)14/h2-3H,1H3
InChI Key:
ODDWYOBMSSXDDU-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Br)cc(c1F)[N+](=O)[O-]
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.939g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.033g/mol
Monoisotopic Mass:
276.939g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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