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58442-17-4 | 1H-Benzimidazole-5-carboxaldehyde
CAS No: 58442-17-4 Catalog No: AG0032RN MDL No:MFCD08741423
Product Description
Catalog Number:
AG0032RN
Chemical Name:
1H-Benzimidazole-5-carboxaldehyde
CAS Number:
58442-17-4
Molecular Formula:
C8H6N2O
Molecular Weight:
146.1460
MDL Number:
MFCD08741423
IUPAC Name:
3H-benzimidazole-5-carbaldehyde
InChI:
InChI=1S/C8H6N2O/c11-4-6-1-2-7-8(3-6)10-5-9-7/h1-5H,(H,9,10)
InChI Key:
ALCHVVTYAHQOFY-UHFFFAOYSA-N
SMILES:
O=Cc1ccc2c(c1)nc[nH]2
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.048g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
146.149g/mol
Monoisotopic Mass:
146.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Literature
| Title | Journal |
|---|---|
| Photoinduced synthesis of new diisochromenochromen-4-ones and their antimicrobial activities. | TheScientificWorldJournal 20120101 |
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