200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 78901-50-5
78901-50-5 | Benzoic acid, 4-(nonyloxy)-, 4-nitrophenyl ester
CAS No: 78901-50-5 Catalog No: AG005OX7 MDL No:
Product Description
Catalog Number:
AG005OX7
Chemical Name:
Benzoic acid, 4-(nonyloxy)-, 4-nitrophenyl ester
CAS Number:
78901-50-5
Molecular Formula:
C22H27NO5
Molecular Weight:
385.4535
IUPAC Name:
(4-nitrophenyl) 4-nonoxybenzoate
InChI:
InChI=1S/C22H27NO5/c1-2-3-4-5-6-7-8-17-27-20-13-9-18(10-14-20)22(24)28-21-15-11-19(12-16-21)23(25)26/h9-16H,2-8,17H2,1H3
InChI Key:
KHKSEYZKYFVXEG-UHFFFAOYSA-N
SMILES:
CCCCCCCCCOc1ccc(cc1)C(=O)Oc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
448
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
385.189g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
385.46g/mol
Monoisotopic Mass:
385.189g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.