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833458-07-4 | Methanone, bis[4-(4-chlorophenyl)-1H-pyrrol-3-yl]-
CAS No: 833458-07-4 Catalog No: AG004W8U MDL No:
Product Description
Catalog Number:
AG004W8U
Chemical Name:
Methanone, bis[4-(4-chlorophenyl)-1H-pyrrol-3-yl]-
CAS Number:
833458-07-4
Molecular Formula:
C21H14Cl2N2O
Molecular Weight:
381.2547
IUPAC Name:
bis[4-(4-chlorophenyl)-1H-pyrrol-3-yl]methanone
InChI:
InChI=1S/C21H14Cl2N2O/c22-15-5-1-13(2-6-15)17-9-24-11-19(17)21(26)20-12-25-10-18(20)14-3-7-16(23)8-4-14/h1-12,24-25H
InChI Key:
QWRHBTOSLWHSCZ-UHFFFAOYSA-N
SMILES:
O=C(c1c[nH]cc1c1ccc(cc1)Cl)c1c[nH]cc1c1ccc(cc1)Cl
Properties
Complexity:
444
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
380.048g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
381.256g/mol
Monoisotopic Mass:
380.048g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
48.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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