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115122-03-7 | 1H-Naphth[1,2-d]imidazole-2-carboxaldehyde
CAS No: 115122-03-7 Catalog No: AG000GBI MDL No:
Product Description
Catalog Number:
AG000GBI
Chemical Name:
1H-Naphth[1,2-d]imidazole-2-carboxaldehyde
CAS Number:
115122-03-7
Molecular Formula:
C12H8N2O
Molecular Weight:
196.2047
IUPAC Name:
3H-benzo[e]benzimidazole-2-carbaldehyde
InChI:
InChI=1S/C12H8N2O/c15-7-11-13-10-6-5-8-3-1-2-4-9(8)12(10)14-11/h1-7H,(H,13,14)
InChI Key:
NIVDYABRPRAZJV-UHFFFAOYSA-N
SMILES:
O=Cc1nc2c([nH]1)c1ccccc1cc2
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.064g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
196.209g/mol
Monoisotopic Mass:
196.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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