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139417-75-7 | 3H-Indolium, 2,3,3-trimethyl-1-(phenylmethyl)-, bromide (1:1)
CAS No: 139417-75-7 Catalog No: AG001B03 MDL No:
Product Description
Catalog Number:
AG001B03
Chemical Name:
3H-Indolium, 2,3,3-trimethyl-1-(phenylmethyl)-, bromide (1:1)
CAS Number:
139417-75-7
Molecular Formula:
C18H20BrN
Molecular Weight:
330.2621
IUPAC Name:
1-benzyl-2,3,3-trimethylindol-1-ium;bromide
InChI:
InChI=1S/C18H20N.BrH/c1-14-18(2,3)16-11-7-8-12-17(16)19(14)13-15-9-5-4-6-10-15;/h4-12H,13H2,1-3H3;1H/q+1;/p-1
InChI Key:
SPNKEZPNVIOVTQ-UHFFFAOYSA-M
SMILES:
CC1=[N+](Cc2ccccc2)c2c(C1(C)C)cccc2.[Br-]
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.078g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
330.269g/mol
Monoisotopic Mass:
329.078g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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