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Home > Aldehydes > 920536-41-0
920536-41-0 | 2-Furancarboxaldehyde, 5-[(5,6-dichloro-1H-benzimidazol-2-yl)thio]-
CAS No: 920536-41-0 Catalog No: AG006DHW MDL No:
Product Description
Catalog Number:
AG006DHW
Chemical Name:
2-Furancarboxaldehyde, 5-[(5,6-dichloro-1H-benzimidazol-2-yl)thio]-
CAS Number:
920536-41-0
Molecular Formula:
C12H6Cl2N2O2S
Molecular Weight:
313.1592
IUPAC Name:
5-[(5,6-dichloro-1H-benzimidazol-2-yl)sulfanyl]furan-2-carbaldehyde
InChI:
InChI=1S/C12H6Cl2N2O2S/c13-7-3-9-10(4-8(7)14)16-12(15-9)19-11-2-1-6(5-17)18-11/h1-5H,(H,15,16)
InChI Key:
RVGZRPYPSWZDID-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(o1)Sc1[nH]c2c(n1)cc(c(c2)Cl)Cl
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.953g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
313.152g/mol
Monoisotopic Mass:
311.953g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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