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7791-54-0 | 1H-Indole, 3-[(2-chlorophenyl)methyl]-2-methyl-
CAS No: 7791-54-0 Catalog No: AG005EHX MDL No:
Product Description
Catalog Number:
AG005EHX
Chemical Name:
1H-Indole, 3-[(2-chlorophenyl)methyl]-2-methyl-
CAS Number:
7791-54-0
Molecular Formula:
C16H14ClN
Molecular Weight:
255.7421
IUPAC Name:
3-[(2-chlorophenyl)methyl]-2-methyl-1H-indole
InChI:
InChI=1S/C16H14ClN/c1-11-14(10-12-6-2-4-8-15(12)17)13-7-3-5-9-16(13)18-11/h2-9,18H,10H2,1H3
InChI Key:
WDKFWQQTQYLCKC-UHFFFAOYSA-N
SMILES:
Clc1ccccc1Cc1c(C)[nH]c2c1cccc2
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.081g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
255.745g/mol
Monoisotopic Mass:
255.081g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
15.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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