200,000+ products from a single source!
sales@angenechem.com
Home > Fluorides > 159471-61-1
159471-61-1 | Benzoic acid, 3-fluoro-4-[(5-fluoro-2-nitrophenoxy)methyl]-, methyl ester
CAS No: 159471-61-1 Catalog No: AG001R3P MDL No:
Product Description
Catalog Number:
AG001R3P
Chemical Name:
Benzoic acid, 3-fluoro-4-[(5-fluoro-2-nitrophenoxy)methyl]-, methyl ester
CAS Number:
159471-61-1
Molecular Formula:
C15H11F2NO5
Molecular Weight:
323.2483
IUPAC Name:
methyl 3-fluoro-4-[(5-fluoro-2-nitrophenoxy)methyl]benzoate
InChI:
InChI=1S/C15H11F2NO5/c1-22-15(19)9-2-3-10(12(17)6-9)8-23-14-7-11(16)4-5-13(14)18(20)21/h2-7H,8H2,1H3
InChI Key:
SWBIEXDJNCENBO-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1)F)COc1cc(F)ccc1[N+](=O)[O-]
Properties
Complexity:
431
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.061g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
323.252g/mol
Monoisotopic Mass:
323.061g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.