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Home > Indoles and Oxindole > 85409-64-9
85409-64-9 | 2-[[(1,3-DIHYDRO-1,3,3-TRIMETHYL-2H-INDOL-2-YLIDENE)METHYL]AZO]-4-NITROPHENOL
CAS No: 85409-64-9 Catalog No: AG004T1K MDL No:
Product Description
Catalog Number:
AG004T1K
Chemical Name:
2-[[(1,3-DIHYDRO-1,3,3-TRIMETHYL-2H-INDOL-2-YLIDENE)METHYL]AZO]-4-NITROPHENOL
CAS Number:
85409-64-9
Molecular Formula:
C18H18N4O3
Molecular Weight:
338.3605
IUPAC Name:
4-nitro-2-[(1,3,3-trimethylindol-2-ylidene)methyldiazenyl]phenol
InChI:
InChI=1S/C18H18N4O3/c1-18(2)13-6-4-5-7-15(13)21(3)17(18)11-19-20-14-10-12(22(24)25)8-9-16(14)23/h4-11,23H,1-3H3
InChI Key:
AUHGAASRWDDCDD-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1N=NC=C1N(C)c2c(C1(C)C)cccc2)[N+](=O)[O-]
EC Number:
287-135-0
Properties
Complexity:
569
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.138g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
338.367g/mol
Monoisotopic Mass:
338.138g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
94A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.3
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