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14894-45-2 | Benzenamine, 4,4'-sulfonylbis[N-heptyl-2-nitro-
CAS No: 14894-45-2 Catalog No: AG001LB3 MDL No:
Product Description
Catalog Number:
AG001LB3
Chemical Name:
Benzenamine, 4,4'-sulfonylbis[N-heptyl-2-nitro-
CAS Number:
14894-45-2
Molecular Formula:
C26H38N4O6S
Molecular Weight:
534.6681
IUPAC Name:
N-heptyl-4-[4-(heptylamino)-3-nitrophenyl]sulfonyl-2-nitroaniline
InChI:
InChI=1S/C26H38N4O6S/c1-3-5-7-9-11-17-27-23-15-13-21(19-25(23)29(31)32)37(35,36)22-14-16-24(26(20-22)30(33)34)28-18-12-10-8-6-4-2/h13-16,19-20,27-28H,3-12,17-18H2,1-2H3
InChI Key:
NVSMZIYFJYNZAM-UHFFFAOYSA-N
SMILES:
CCCCCCCNc1ccc(cc1[N+](=O)[O-])S(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])NCCCCCCC
NSC Number:
177733
Properties
Complexity:
721
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
534.251g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
534.672g/mol
Monoisotopic Mass:
534.251g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
158A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.2
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