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Home > Aldehydes > 915911-32-9
915911-32-9 | 2-Furancarboxaldehyde, 5-[(6-methoxy-1H-benzimidazol-2-yl)thio]-
CAS No: 915911-32-9 Catalog No: AG006TH2 MDL No:
Product Description
Catalog Number:
AG006TH2
Chemical Name:
2-Furancarboxaldehyde, 5-[(6-methoxy-1H-benzimidazol-2-yl)thio]-
CAS Number:
915911-32-9
Molecular Formula:
C13H10N2O3S
Molecular Weight:
274.2951
IUPAC Name:
5-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]furan-2-carbaldehyde
InChI:
InChI=1S/C13H10N2O3S/c1-17-8-2-4-10-11(6-8)15-13(14-10)19-12-5-3-9(7-16)18-12/h2-7H,1H3,(H,14,15)
InChI Key:
CDHDVABLDRAGFV-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)[nH]c(n2)Sc1ccc(o1)C=O
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.041g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
274.294g/mol
Monoisotopic Mass:
274.041g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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