Home Halogens 4-bromo-3-fluoro-5-nitrobenzoic acid

4-bromo-3-fluoro-5-nitrobenzoic acid

CAS No.:
1249531-65-4
Catalog Number:
AG01ADR6
Molecular Formula:
C7H3BrFNO4
Molecular Weight:
264.0054
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Product Description
Catalog Number:
AG01ADR6
Chemical Name:
4-bromo-3-fluoro-5-nitrobenzoic acid
CAS Number:
1249531-65-4
Molecular Formula:
C7H3BrFNO4
Molecular Weight:
264.0054
MDL Number:
MFCD16084852
IUPAC Name:
4-bromo-3-fluoro-5-nitrobenzoic acid
InChI:
InChI=1S/C7H3BrFNO4/c8-6-4(9)1-3(7(11)12)2-5(6)10(13)14/h1-2H,(H,11,12)
InChI Key:
VNBUOQRPHGBTIQ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(cc(c1Br)F)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  
Properties