Home Nitros 4-Bromo-2-fluoro-6-nitrobenzoic acid

4-Bromo-2-fluoro-6-nitrobenzoic acid

CAS No.:
1698027-97-2
Catalog Number:
AG00HZCG
Molecular Formula:
C7H3BrFNO4
Molecular Weight:
264.0054
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Product Description
Catalog Number:
AG00HZCG
Chemical Name:
4-Bromo-2-fluoro-6-nitrobenzoic acid
CAS Number:
1698027-97-2
Molecular Formula:
C7H3BrFNO4
Molecular Weight:
264.0054
MDL Number:
MFCD28739992
IUPAC Name:
4-bromo-2-fluoro-6-nitrobenzoic acid
InChI:
InChI=1S/C7H3BrFNO4/c8-3-1-4(9)6(7(11)12)5(2-3)10(13)14/h1-2H,(H,11,12)
InChI Key:
NDJPAWIBZAMBIT-UHFFFAOYSA-N
SMILES:
Brc1cc(F)c(c(c1)[N+](=O)[O-])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