Home Nitros 3-Chloro-4-fluoro-5-nitrobenzoicAcid

3-Chloro-4-fluoro-5-nitrobenzoicAcid

CAS No.:
132992-43-9
Catalog Number:
AG00HSQ0
Molecular Formula:
C7H3ClFNO4
Molecular Weight:
219.5544
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Product Description
Catalog Number:
AG00HSQ0
Chemical Name:
3-Chloro-4-fluoro-5-nitrobenzoicAcid
CAS Number:
132992-43-9
Molecular Formula:
C7H3ClFNO4
Molecular Weight:
219.5544
IUPAC Name:
3-chloro-4-fluoro-5-nitrobenzoic acid
InChI:
InChI=1S/C7H3ClFNO4/c8-4-1-3(7(11)12)2-5(6(4)9)10(13)14/h1-2H,(H,11,12)
InChI Key:
FSXCNZDIJKLGGU-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(cc(c1F)Cl)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:
218.973g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
219.552g/mol
Monoisotopic Mass:
218.973g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties