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Home > Bromides > 1020717-99-0
1020717-99-0 | Benzoic acid, 4-bromo-5-fluoro-2-nitro-
CAS No: 1020717-99-0 Catalog No: AG0006HW MDL No:MFCD08702773
Product Description
Catalog Number:
AG0006HW
Chemical Name:
Benzoic acid, 4-bromo-5-fluoro-2-nitro-
CAS Number:
1020717-99-0
Molecular Formula:
C7H3BrFNO4
Molecular Weight:
264.0054
MDL Number:
MFCD08702773
IUPAC Name:
4-bromo-5-fluoro-2-nitrobenzoic acid
InChI:
InChI=1S/C7H3BrFNO4/c8-4-2-6(10(13)14)3(7(11)12)1-5(4)9/h1-2H,(H,11,12)
InChI Key:
JZVCMOJSPCGLTC-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(F)c(cc1[N+](=O)[O-])Br
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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