200,000+ products from a single source!
sales@angenechem.com
Home > Fluorides > 1803730-28-0
1803730-28-0 | Benzoic acid, 3,6-difluoro-2-nitro-, methyl ester
CAS No: 1803730-28-0 Catalog No: AG0021XY MDL No:
Product Description
Catalog Number:
AG0021XY
Chemical Name:
Benzoic acid, 3,6-difluoro-2-nitro-, methyl ester
CAS Number:
1803730-28-0
Molecular Formula:
C8H5F2NO4
Molecular Weight:
217.1264
IUPAC Name:
methyl 3,6-difluoro-2-nitrobenzoate
InChI:
InChI=1S/C8H5F2NO4/c1-15-8(12)6-4(9)2-3-5(10)7(6)11(13)14/h2-3H,1H3
InChI Key:
PSZJMAZVCNQMSH-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(F)ccc(c1[N+](=O)[O-])F
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.019g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.128g/mol
Monoisotopic Mass:
217.019g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.