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Home > Bromides > 1290117-21-3
1290117-21-3 | Benzoic acid, 3-bromo-4-fluoro-5-nitro-
CAS No: 1290117-21-3 Catalog No: AG000YRV MDL No:MFCD18914494
Product Description
Catalog Number:
AG000YRV
Chemical Name:
Benzoic acid, 3-bromo-4-fluoro-5-nitro-
CAS Number:
1290117-21-3
Molecular Formula:
C7H3BrFNO4
Molecular Weight:
264.0054
MDL Number:
MFCD18914494
IUPAC Name:
3-bromo-4-fluoro-5-nitrobenzoic acid
InChI:
InChI=1S/C7H3BrFNO4/c8-4-1-3(7(11)12)2-5(6(4)9)10(13)14/h1-2H,(H,11,12)
InChI Key:
DEPOWDIDJDBOFC-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(cc(c1F)Br)C(=O)O
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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