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Home > Bromides > 1153279-80-1
1153279-80-1 | Benzoic acid, 5-bromo-2-fluoro-3-nitro-
CAS No: 1153279-80-1 Catalog No: AG000GLE MDL No:MFCD12173024
Product Description
Catalog Number:
AG000GLE
Chemical Name:
Benzoic acid, 5-bromo-2-fluoro-3-nitro-
CAS Number:
1153279-80-1
Molecular Formula:
C7H3BrFNO4
Molecular Weight:
264.0054
MDL Number:
MFCD12173024
IUPAC Name:
5-bromo-2-fluoro-3-nitrobenzoic acid
InChI:
InChI=1S/C7H3BrFNO4/c8-3-1-4(7(11)12)6(9)5(2-3)10(13)14/h1-2H,(H,11,12)
InChI Key:
SXOKSXISBYNNQM-UHFFFAOYSA-N
SMILES:
Brc1cc([N+](=O)[O-])c(c(c1)C(=O)O)F
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.923g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
264.006g/mol
Monoisotopic Mass:
262.923g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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