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160346-30-5 | 3H-Indolium, 1,3,3,4,5-pentamethyl-2-naphth[1,2-d]oxazol-2-yl-
CAS No: 160346-30-5 Catalog No: AG001RUJ MDL No:
Product Description
Catalog Number:
AG001RUJ
Chemical Name:
3H-Indolium, 1,3,3,4,5-pentamethyl-2-naphth[1,2-d]oxazol-2-yl-
CAS Number:
160346-30-5
Molecular Formula:
C24H23N2O+
Molecular Weight:
355.4522
IUPAC Name:
2-(1,3,3,4,5-pentamethylindol-1-ium-2-yl)benzo[e][1,3]benzoxazole
InChI:
InChI=1S/C24H23N2O/c1-14-10-12-18-20(15(14)2)24(3,4)22(26(18)5)23-25-21-17-9-7-6-8-16(17)11-13-19(21)27-23/h6-13H,1-5H3/q+1
InChI Key:
BXBNLFINYZVXDC-UHFFFAOYSA-N
SMILES:
C[N+]1=C(c2oc3c(n2)c2ccccc2cc3)C(c2c1ccc(c2C)C)(C)C
Properties
Complexity:
626
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.181g/mol
Formal Charge:
1
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
355.461g/mol
Monoisotopic Mass:
355.181g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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