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147804-55-5

147804-55-5 | 1H-PYRROLE, 2,2'-[(4-METHYLPHENYL)METHYLENE]BIS-

CAS No: 147804-55-5 Catalog No: AG001F7Y MDL No:

Product Description

Catalog Number:
AG001F7Y
Chemical Name:
1H-PYRROLE, 2,2'-[(4-METHYLPHENYL)METHYLENE]BIS-
CAS Number:
147804-55-5
Molecular Formula:
C16H16N2
Molecular Weight:
236.3116
IUPAC Name:
2-[(4-methylphenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole
InChI:
InChI=1S/C16H16N2/c1-12-6-8-13(9-7-12)16(14-4-2-10-17-14)15-5-3-11-18-15/h2-11,16-18H,1H3
InChI Key:
HPYGTSVFRRTLJT-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C(c1ccc[nH]1)c1ccc[nH]1

Properties

Complexity:
242  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.131g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
236.318g/mol
Monoisotopic Mass:
236.131g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
31.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  

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