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167482-98-6 | 1H-Pyrrole, 2,2'-[[4-(1,1-dimethylethyl)phenyl]methylene]bis-
CAS No: 167482-98-6 Catalog No: AG001XEV MDL No:
Product Description
Catalog Number:
AG001XEV
Chemical Name:
1H-Pyrrole, 2,2'-[[4-(1,1-dimethylethyl)phenyl]methylene]bis-
CAS Number:
167482-98-6
Molecular Formula:
C19H22N2
Molecular Weight:
278.3914
IUPAC Name:
2-[(4-tert-butylphenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole
InChI:
InChI=1S/C19H22N2/c1-19(2,3)15-10-8-14(9-11-15)18(16-6-4-12-20-16)17-7-5-13-21-17/h4-13,18,20-21H,1-3H3
InChI Key:
SLPZWMKFAWAFSE-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1)C(c1ccc[nH]1)c1ccc[nH]1)(C)C
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.178g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
278.399g/mol
Monoisotopic Mass:
278.178g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
31.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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