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820213-28-3 | 2H-Pyrrole, 4-[bis(4-chlorophenyl)methylene]-3,4-dihydro-5-phenyl-
CAS No: 820213-28-3 Catalog No: AG005E54 MDL No:
Product Description
Catalog Number:
AG005E54
Chemical Name:
2H-Pyrrole, 4-[bis(4-chlorophenyl)methylene]-3,4-dihydro-5-phenyl-
CAS Number:
820213-28-3
Molecular Formula:
C23H17Cl2N
Molecular Weight:
378.2938
IUPAC Name:
4-[bis(4-chlorophenyl)methylidene]-5-phenyl-2,3-dihydropyrrole
InChI:
InChI=1S/C23H17Cl2N/c24-19-10-6-16(7-11-19)22(17-8-12-20(25)13-9-17)21-14-15-26-23(21)18-4-2-1-3-5-18/h1-13H,14-15H2
InChI Key:
LZZQFVLZRBPYKK-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)C(=C1CCN=C1c1ccccc1)c1ccc(cc1)Cl
Properties
Complexity:
506
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
377.074g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
378.296g/mol
Monoisotopic Mass:
377.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
12.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.9
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