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27564-03-0 | 3H-Indolium, 1,3,3-trimethyl-2-[[2-(2-nitrophenyl)hydrazinylidene]methyl]-, chloride (1:1)
CAS No: 27564-03-0 Catalog No: AG002U2U MDL No:
Product Description
Catalog Number:
AG002U2U
Chemical Name:
3H-Indolium, 1,3,3-trimethyl-2-[[2-(2-nitrophenyl)hydrazinylidene]methyl]-, chloride (1:1)
CAS Number:
27564-03-0
Molecular Formula:
C18H19ClN4O2
Molecular Weight:
358.8221
IUPAC Name:
2-nitro-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]aniline;chloride
InChI:
InChI=1S/C18H18N4O2.ClH/c1-18(2)13-8-4-6-10-15(13)21(3)17(18)12-19-20-14-9-5-7-11-16(14)22(23)24;/h4-12H,1-3H3;1H
InChI Key:
JVVULWCPWOSDLK-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccccc1NN=CC1=[N+](C)c2c(C1(C)C)cccc2.[Cl-]
EC Number:
248-530-3
Properties
Complexity:
550
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
358.12g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
358.826g/mol
Monoisotopic Mass:
358.12g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
73.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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