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Home > Nitro Compounds > 93964-90-0
93964-90-0 | N-(2-(DODECYLOXY)ETHYL)-N-ETHYL-4-((2-MESYL-4-NITROPHENYL)AZO)ANILINE
CAS No: 93964-90-0 Catalog No: AG00H6QE MDL No:
Product Description
Catalog Number:
AG00H6QE
Chemical Name:
N-(2-(DODECYLOXY)ETHYL)-N-ETHYL-4-((2-MESYL-4-NITROPHENYL)AZO)ANILINE
CAS Number:
93964-90-0
Molecular Formula:
C29H44N4O5S
Molecular Weight:
560.7485
IUPAC Name:
N-(2-dodecoxyethyl)-N-ethyl-4-[(2-methylsulfonyl-4-nitrophenyl)diazenyl]aniline
InChI:
InChI=1S/C29H44N4O5S/c1-4-6-7-8-9-10-11-12-13-14-22-38-23-21-32(5-2)26-17-15-25(16-18-26)30-31-28-20-19-27(33(34)35)24-29(28)39(3,36)37/h15-20,24H,4-14,21-23H2,1-3H3
InChI Key:
RKBNMTZAMLNIGP-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCOCCN(c1ccc(cc1)N=Nc1ccc(cc1S(=O)(=O)C)[N+](=O)[O-])CC
EC Number:
300-938-3
Properties
Complexity:
791
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
560.303g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
560.754g/mol
Monoisotopic Mass:
560.303g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.7
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