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159152-12-2 | 1H-PYRROLE, 2,2'-[(4-IODOPHENYL)METHYLENE]BIS-
CAS No: 159152-12-2 Catalog No: AG001QJD MDL No:
Product Description
Catalog Number:
AG001QJD
Chemical Name:
1H-PYRROLE, 2,2'-[(4-IODOPHENYL)METHYLENE]BIS-
CAS Number:
159152-12-2
Molecular Formula:
C15H13IN2
Molecular Weight:
348.1816
IUPAC Name:
2-[(4-iodophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole
InChI:
InChI=1S/C15H13IN2/c16-12-7-5-11(6-8-12)15(13-3-1-9-17-13)14-4-2-10-18-14/h1-10,15,17-18H
InChI Key:
WWNLUAFZWVIHTI-UHFFFAOYSA-N
SMILES:
Ic1ccc(cc1)C(c1ccc[nH]1)c1ccc[nH]1
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.012g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
348.187g/mol
Monoisotopic Mass:
348.012g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
31.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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