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Home > Indoles and Oxindole > 144054-05-7
144054-05-7 | 1H-Indole, 2-pentadecyl-3-phenyl-
CAS No: 144054-05-7 Catalog No: AG001IUB MDL No:
Product Description
Catalog Number:
AG001IUB
Chemical Name:
1H-Indole, 2-pentadecyl-3-phenyl-
CAS Number:
144054-05-7
Molecular Formula:
C29H41N
Molecular Weight:
403.6425
IUPAC Name:
2-pentadecyl-3-phenyl-1H-indole
InChI:
InChI=1S/C29H41N/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-24-28-29(25-20-15-14-16-21-25)26-22-18-19-23-27(26)30-28/h14-16,18-23,30H,2-13,17,24H2,1H3
InChI Key:
XOHZFVBAUCKMRS-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCc1[nH]c2c(c1c1ccccc1)cccc2
Properties
Complexity:
413
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
403.324g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
403.654g/mol
Monoisotopic Mass:
403.324g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
15.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
11.4
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