200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 205259-40-1
205259-40-1 | Benzoic acid, 5-methoxy-2-nitro-4-(phenylmethoxy)-, phenylmethyl ester
CAS No: 205259-40-1 Catalog No: AG0029YV MDL No:MFCD09955373
Product Description
Catalog Number:
AG0029YV
Chemical Name:
Benzoic acid, 5-methoxy-2-nitro-4-(phenylmethoxy)-, phenylmethyl ester
CAS Number:
205259-40-1
Molecular Formula:
C22H19NO6
Molecular Weight:
393.3894
MDL Number:
MFCD09955373
IUPAC Name:
benzyl 5-methoxy-2-nitro-4-phenylmethoxybenzoate
InChI:
InChI=1S/C22H19NO6/c1-27-20-12-18(22(24)29-15-17-10-6-3-7-11-17)19(23(25)26)13-21(20)28-14-16-8-4-2-5-9-16/h2-13H,14-15H2,1H3
InChI Key:
JQROUMRXLGWYTK-UHFFFAOYSA-N
SMILES:
COc1cc(C(=O)OCc2ccccc2)c(cc1OCc1ccccc1)[N+](=O)[O-]
Properties
Complexity:
524
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
393.121g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
393.395g/mol
Monoisotopic Mass:
393.121g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
90.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.