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915951-33-6 | 3,4-DIBUTYL-2-METHYL-5-PHENYL-1H-PYRROLE
CAS No: 915951-33-6 Catalog No: AG006FW7 MDL No:
Product Description
Catalog Number:
AG006FW7
Chemical Name:
3,4-DIBUTYL-2-METHYL-5-PHENYL-1H-PYRROLE
CAS Number:
915951-33-6
Molecular Formula:
C19H27N
Molecular Weight:
269.4244
IUPAC Name:
3,4-dibutyl-2-methyl-5-phenyl-1H-pyrrole
InChI:
InChI=1S/C19H27N/c1-4-6-13-17-15(3)20-19(18(17)14-7-5-2)16-11-9-8-10-12-16/h8-12,20H,4-7,13-14H2,1-3H3
InChI Key:
RQQLOLQIPYHFDU-UHFFFAOYSA-N
SMILES:
CCCCc1c([nH]c(c1CCCC)C)c1ccccc1
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.214g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
269.432g/mol
Monoisotopic Mass:
269.214g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
15.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
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