200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 2497-64-5
2497-64-5 | Benzoic acid, 4-(hexadecyloxy)-3-nitro-, methyl ester
CAS No: 2497-64-5 Catalog No: AG002Q1B MDL No:
Product Description
Catalog Number:
AG002Q1B
Chemical Name:
Benzoic acid, 4-(hexadecyloxy)-3-nitro-, methyl ester
CAS Number:
2497-64-5
Molecular Formula:
C24H39NO5
Molecular Weight:
421.5702
IUPAC Name:
methyl 4-hexadecoxy-3-nitrobenzoate
InChI:
InChI=1S/C24H39NO5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-30-23-18-17-21(24(26)29-2)20-22(23)25(27)28/h17-18,20H,3-16,19H2,1-2H3
InChI Key:
VWWJXTXDPRKWSS-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCOc1ccc(cc1[N+](=O)[O-])C(=O)OC
NSC Number:
151185
Properties
Complexity:
451
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
421.283g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
421.578g/mol
Monoisotopic Mass:
421.283g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.