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167959-20-8 | [2,5'-Bi-1H-benzimidazole]-5-carboxaldehyde
CAS No: 167959-20-8 Catalog No: AG007CEW MDL No:
Product Description
Catalog Number:
AG007CEW
Chemical Name:
[2,5'-Bi-1H-benzimidazole]-5-carboxaldehyde
CAS Number:
167959-20-8
Molecular Formula:
C15H10N4O
Molecular Weight:
262.2661
IUPAC Name:
2-(3H-benzimidazol-5-yl)-3H-benzimidazole-5-carbaldehyde
InChI:
InChI=1S/C15H10N4O/c20-7-9-1-3-12-14(5-9)19-15(18-12)10-2-4-11-13(6-10)17-8-16-11/h1-8H,(H,16,17)(H,18,19)
InChI Key:
QXKGHONOKVYYEN-UHFFFAOYSA-N
SMILES:
O=Cc1ccc2c(c1)nc([nH]2)c1ccc2c(c1)nc[nH]2
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.085g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
262.272g/mol
Monoisotopic Mass:
262.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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