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Home > Aldehydes > 180000-91-3
180000-91-3 | 1H-Benzimidazole-2-carboxaldehyde, 1-(phenylmethyl)-
CAS No: 180000-91-3 Catalog No: AG0021L7 MDL No:MFCD03130245
Product Description
Catalog Number:
AG0021L7
Chemical Name:
1H-Benzimidazole-2-carboxaldehyde, 1-(phenylmethyl)-
CAS Number:
180000-91-3
Molecular Formula:
C15H12N2O
Molecular Weight:
236.2686
MDL Number:
MFCD03130245
IUPAC Name:
1-benzylbenzimidazole-2-carbaldehyde
InChI:
InChI=1S/C15H12N2O/c18-11-15-16-13-8-4-5-9-14(13)17(15)10-12-6-2-1-3-7-12/h1-9,11H,10H2
InChI Key:
FLSACHQTKKDWED-UHFFFAOYSA-N
SMILES:
O=Cc1nc2c(n1Cc1ccccc1)cccc2
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.095g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.274g/mol
Monoisotopic Mass:
236.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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