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69766-79-6 | 1,2-Propanediol, 3-[ethyl[3-methyl-4-[2-(5-nitro-2-thiazolyl)diazenyl]phenyl]amino]-
CAS No: 69766-79-6 Catalog No: AG0016YT MDL No:
Product Description
Catalog Number:
AG0016YT
Chemical Name:
1,2-Propanediol, 3-[ethyl[3-methyl-4-[2-(5-nitro-2-thiazolyl)diazenyl]phenyl]amino]-
CAS Number:
69766-79-6
Molecular Formula:
C15H19N5O4S
Molecular Weight:
365.4075
IUPAC Name:
3-[N-ethyl-3-methyl-4-[(5-nitro-1,3-thiazol-2-yl)diazenyl]anilino]propane-1,2-diol
InChI:
InChI=1S/C15H19N5O4S/c1-3-19(8-12(22)9-21)11-4-5-13(10(2)6-11)17-18-15-16-7-14(25-15)20(23)24/h4-7,12,21-22H,3,8-9H2,1-2H3
InChI Key:
COCWIIAFGQLMGS-UHFFFAOYSA-N
SMILES:
OCC(CN(c1ccc(c(c1)C)N=Nc1ncc(s1)[N+](=O)[O-])CC)O
Properties
Complexity:
464
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
365.116g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
365.408g/mol
Monoisotopic Mass:
365.116g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
155A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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