200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 126761-99-7
126761-99-7 | Benzoic acid, 4-(octyloxy)-, 4-[(4-nitrophenoxy)carbonyl]phenyl ester
CAS No: 126761-99-7 Catalog No: AG000T6V MDL No:
Product Description
Catalog Number:
AG000T6V
Chemical Name:
Benzoic acid, 4-(octyloxy)-, 4-[(4-nitrophenoxy)carbonyl]phenyl ester
CAS Number:
126761-99-7
Molecular Formula:
C28H29NO7
Molecular Weight:
491.5324
IUPAC Name:
[4-(4-nitrophenoxy)carbonylphenyl] 4-octoxybenzoate
InChI:
InChI=1S/C28H29NO7/c1-2-3-4-5-6-7-20-34-24-14-8-21(9-15-24)27(30)35-25-16-10-22(11-17-25)28(31)36-26-18-12-23(13-19-26)29(32)33/h8-19H,2-7,20H2,1H3
InChI Key:
WHSZIEAAERWJKY-UHFFFAOYSA-N
SMILES:
CCCCCCCCOc1ccc(cc1)C(=O)Oc1ccc(cc1)C(=O)Oc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
670
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
491.194g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
491.54g/mol
Monoisotopic Mass:
491.194g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.