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144446-82-2 | Benzenamine, N-docosyl-2-methyl-4-nitro-
CAS No: 144446-82-2 Catalog No: AG001JJY MDL No:
Product Description
Catalog Number:
AG001JJY
Chemical Name:
Benzenamine, N-docosyl-2-methyl-4-nitro-
CAS Number:
144446-82-2
Molecular Formula:
C29H52N2O2
Molecular Weight:
460.7354
IUPAC Name:
N-docosyl-2-methyl-4-nitroaniline
InChI:
InChI=1S/C29H52N2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-30-29-24-23-28(31(32)33)26-27(29)2/h23-24,26,30H,3-22,25H2,1-2H3
InChI Key:
OQBYYGKGKBGEOL-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCCCCCNc1ccc(cc1C)[N+](=O)[O-]
Properties
Complexity:
438
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
460.403g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
460.747g/mol
Monoisotopic Mass:
460.403g/mol
Rotatable Bond Count:
22
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
13.1
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