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88314-23-2 | Ethanol, 2,2'-[[4-[(3,5-dimethyl-1H-pyrazol-4-yl)azo]phenyl]imino]bis-
CAS No: 88314-23-2 Catalog No: AG0048HB MDL No:
Product Description
Catalog Number:
AG0048HB
Chemical Name:
Ethanol, 2,2'-[[4-[(3,5-dimethyl-1H-pyrazol-4-yl)azo]phenyl]imino]bis-
CAS Number:
88314-23-2
Molecular Formula:
C15H21N5O2
Molecular Weight:
303.3595
IUPAC Name:
2-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)diazenyl]-N-(2-hydroxyethyl)anilino]ethanol
InChI:
InChI=1S/C15H21N5O2/c1-11-15(12(2)17-16-11)19-18-13-3-5-14(6-4-13)20(7-9-21)8-10-22/h3-6,21-22H,7-10H2,1-2H3,(H,16,17)
InChI Key:
NUWRCAPOBUIWJT-UHFFFAOYSA-N
SMILES:
OCCN(c1ccc(cc1)N=Nc1c(C)n[nH]c1C)CCO
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.17g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
303.366g/mol
Monoisotopic Mass:
303.17g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
97.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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