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Home > Nitro Compounds > 97552-66-4
97552-66-4 | N-ETHYL-N-[2-(HEXYLOXY)ETHYL]-4-[(5-NITROTHIAZOL-2-YL)AZO]ANILINE
CAS No: 97552-66-4 Catalog No: AG00H8CF MDL No:
Product Description
Catalog Number:
AG00H8CF
Chemical Name:
N-ETHYL-N-[2-(HEXYLOXY)ETHYL]-4-[(5-NITROTHIAZOL-2-YL)AZO]ANILINE
CAS Number:
97552-66-4
Molecular Formula:
C19H27N5O3S
Molecular Weight:
405.5144
IUPAC Name:
N-ethyl-N-(2-hexoxyethyl)-4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]aniline
InChI:
InChI=1S/C19H27N5O3S/c1-3-5-6-7-13-27-14-12-23(4-2)17-10-8-16(9-11-17)21-22-19-20-15-18(28-19)24(25)26/h8-11,15H,3-7,12-14H2,1-2H3
InChI Key:
HESORDYNQVXDHT-UHFFFAOYSA-N
SMILES:
CCCCCCOCCN(c1ccc(cc1)N=Nc1ncc(s1)[N+](=O)[O-])CC
EC Number:
307-120-5
Properties
Complexity:
469
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
405.183g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
405.517g/mol
Monoisotopic Mass:
405.183g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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