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88779-14-0 | Benzenamine, 4-[(2-chloro-4-nitrophenyl)azo]-N,N-bis(2-methoxyethyl)-
CAS No: 88779-14-0 Catalog No: AG004CZC MDL No:
Product Description
Catalog Number:
AG004CZC
Chemical Name:
Benzenamine, 4-[(2-chloro-4-nitrophenyl)azo]-N,N-bis(2-methoxyethyl)-
CAS Number:
88779-14-0
Molecular Formula:
C18H21ClN4O4
Molecular Weight:
392.8367
IUPAC Name:
4-[(2-chloro-4-nitrophenyl)diazenyl]-N,N-bis(2-methoxyethyl)aniline
InChI:
InChI=1S/C18H21ClN4O4/c1-26-11-9-22(10-12-27-2)15-5-3-14(4-6-15)20-21-18-8-7-16(23(24)25)13-17(18)19/h3-8,13H,9-12H2,1-2H3
InChI Key:
BAPHREAOYLLKEJ-UHFFFAOYSA-N
SMILES:
COCCN(c1ccc(cc1)N=Nc1ccc(cc1Cl)[N+](=O)[O-])CCOC
Properties
Complexity:
461
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
392.125g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
392.84g/mol
Monoisotopic Mass:
392.125g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
92.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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