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135696-67-2 | 1-(2H-1,3-benzodioxole-5-carbonyl)-1H-imidazole
CAS No: 135696-67-2 Catalog No: AG00J0QN MDL No:MFCD17292452
Product Description
Catalog Number:
AG00J0QN
Chemical Name:
1-(2H-1,3-benzodioxole-5-carbonyl)-1H-imidazole
CAS Number:
135696-67-2
Molecular Formula:
C11H8N2O3
Molecular Weight:
216.1928
MDL Number:
MFCD17292452
IUPAC Name:
1,3-benzodioxol-5-yl(imidazol-1-yl)methanone
InChI:
InChI=1S/C11H8N2O3/c14-11(13-4-3-12-6-13)8-1-2-9-10(5-8)16-7-15-9/h1-6H,7H2
InChI Key:
SDXXPGLZCDOYSZ-UHFFFAOYSA-N
SMILES:
O=C(n1cncc1)c1ccc2c(c1)OCO2
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.053g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.196g/mol
Monoisotopic Mass:
216.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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