Home Nitros Benzoic acid, 2,3-difluoro-5-nitro-, ethyl ester

Benzoic acid, 2,3-difluoro-5-nitro-, ethyl ester

CAS No.:
1249558-76-6
Catalog Number:
AG000MWT
Molecular Formula:
C9H7F2NO4
Molecular Weight:
231.1530
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG000MWT
Chemical Name:
Benzoic acid, 2,3-difluoro-5-nitro-, ethyl ester
CAS Number:
1249558-76-6
Molecular Formula:
C9H7F2NO4
Molecular Weight:
231.1530
MDL Number:
MFCD16836309
IUPAC Name:
ethyl 2,3-difluoro-5-nitrobenzoate
InChI:
InChI=1S/C9H7F2NO4/c1-2-16-9(13)6-3-5(12(14)15)4-7(10)8(6)11/h3-4H,2H2,1H3
InChI Key:
NHEKHQXERSEBAK-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(cc(c1F)F)[N+](=O)[O-]
Properties
Complexity:
281  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.034g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.155g/mol
Monoisotopic Mass:
231.034g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties