Home Halogens 3-chloro-2-fluoro-5-nitrobenzoic acid

3-chloro-2-fluoro-5-nitrobenzoic acid

CAS No.:
1000162-34-4
Catalog Number:
AG00H948
Molecular Formula:
C7H3ClFNO4
Molecular Weight:
219.5544
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG00H948
Chemical Name:
3-chloro-2-fluoro-5-nitrobenzoic acid
CAS Number:
1000162-34-4
Molecular Formula:
C7H3ClFNO4
Molecular Weight:
219.5544
MDL Number:
MFCD23701946
IUPAC Name:
3-chloro-2-fluoro-5-nitrobenzoic acid
InChI:
InChI=1S/C7H3ClFNO4/c8-5-2-3(10(13)14)1-4(6(5)9)7(11)12/h1-2H,(H,11,12)
InChI Key:
JJVRJAIWWGHMNB-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(Cl)c(c(c1)C(=O)O)F
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