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Home > Aldehydes > 893736-03-3
893736-03-3 | Benzaldehyde,3-(3-quinolinyl)-
CAS No: 893736-03-3 Catalog No: AG003YUT MDL No:
Product Description
Catalog Number:
AG003YUT
Chemical Name:
Benzaldehyde,3-(3-quinolinyl)-
CAS Number:
893736-03-3
Molecular Formula:
C14H10N2O
Molecular Weight:
222.2420
IUPAC Name:
3-(1H-benzimidazol-2-yl)benzaldehyde
InChI:
InChI=1S/C14H10N2O/c17-9-10-4-3-5-11(8-10)14-15-12-6-1-2-7-13(12)16-14/h1-9H,(H,15,16)
InChI Key:
MPDAOJPPIOVYAQ-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1)c1nc2c([nH]1)cccc2
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.079g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.247g/mol
Monoisotopic Mass:
222.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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