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15861-57-1 | 1H-Pyrrole, 1-(1,1-dimethylethyl)-2,4-diphenyl-
CAS No: 15861-57-1 Catalog No: AG001QDH MDL No:
Product Description
Catalog Number:
AG001QDH
Chemical Name:
1H-Pyrrole, 1-(1,1-dimethylethyl)-2,4-diphenyl-
CAS Number:
15861-57-1
Molecular Formula:
C20H21N
Molecular Weight:
275.3874
IUPAC Name:
1-tert-butyl-2,4-diphenylpyrrole
InChI:
InChI=1S/C20H21N/c1-20(2,3)21-15-18(16-10-6-4-7-11-16)14-19(21)17-12-8-5-9-13-17/h4-15H,1-3H3
InChI Key:
ZYGXPZWWBJUOCZ-UHFFFAOYSA-N
SMILES:
CC(n1cc(cc1c1ccccc1)c1ccccc1)(C)C
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.167g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.395g/mol
Monoisotopic Mass:
275.167g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
4.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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