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1235440-06-8 | 4-chloro-2-[(4-chlorophenyl)sulfanyl]-1-phenyl-1H-imidazole-5-carbaldehyde
CAS No: 1235440-06-8 Catalog No: AG01A8O4 MDL No:MFCD16040132
Product Description
Catalog Number:
AG01A8O4
Chemical Name:
4-chloro-2-[(4-chlorophenyl)sulfanyl]-1-phenyl-1H-imidazole-5-carbaldehyde
CAS Number:
1235440-06-8
Molecular Formula:
C16H10Cl2N2OS
Molecular Weight:
349.2344
MDL Number:
MFCD16040132
IUPAC Name:
5-chloro-2-(4-chlorophenyl)sulfanyl-3-phenylimidazole-4-carbaldehyde
InChI:
InChI=1S/C16H10Cl2N2OS/c17-11-6-8-13(9-7-11)22-16-19-15(18)14(10-21)20(16)12-4-2-1-3-5-12/h1-10H
InChI Key:
CZLILUAZTIVSEI-UHFFFAOYSA-N
SMILES:
O=Cc1c(Cl)nc(n1c1ccccc1)Sc1ccc(cc1)Cl
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.989g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
349.229g/mol
Monoisotopic Mass:
347.989g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
60.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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