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872674-87-8 | 1H-Indole, 3-(2-bromoethyl)-5-chloro-1-(diphenylmethyl)-2-methyl-
CAS No: 872674-87-8 Catalog No: AG004LTS MDL No:
Product Description
Catalog Number:
AG004LTS
Chemical Name:
1H-Indole, 3-(2-bromoethyl)-5-chloro-1-(diphenylmethyl)-2-methyl-
CAS Number:
872674-87-8
Molecular Formula:
C24H21BrClN
Molecular Weight:
438.7872
IUPAC Name:
1-benzhydryl-3-(2-bromoethyl)-5-chloro-2-methylindole
InChI:
InChI=1S/C24H21BrClN/c1-17-21(14-15-25)22-16-20(26)12-13-23(22)27(17)24(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-13,16,24H,14-15H2,1H3
InChI Key:
OQDRZJVWPKEHOK-UHFFFAOYSA-N
SMILES:
BrCCc1c(C)n(c2c1cc(Cl)cc2)C(c1ccccc1)c1ccccc1
Properties
Complexity:
441
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
437.055g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
438.793g/mol
Monoisotopic Mass:
437.055g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
4.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.3
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