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85102-93-8 | 1-BENZYLIMIDAZOLE-4-CARBALDEHYDE
CAS No: 85102-93-8 Catalog No: AG004OJ3 MDL No:
Product Description
Catalog Number:
AG004OJ3
Chemical Name:
1-BENZYLIMIDAZOLE-4-CARBALDEHYDE
CAS Number:
85102-93-8
Molecular Formula:
C11H10N2O
Molecular Weight:
186.2099
IUPAC Name:
1-benzylimidazole-4-carbaldehyde
InChI:
InChI=1S/C11H10N2O/c14-8-11-7-13(9-12-11)6-10-4-2-1-3-5-10/h1-5,7-9H,6H2
InChI Key:
WHNXSUJWIAAGSF-UHFFFAOYSA-N
SMILES:
O=Cc1ncn(c1)Cc1ccccc1
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.079g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.214g/mol
Monoisotopic Mass:
186.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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