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13109-82-5 | 2-(Diethoxymethyl)-1H-benzimidazole
CAS No: 13109-82-5 Catalog No: AG00JA3K MDL No:MFCD06809658
Product Description
Catalog Number:
AG00JA3K
Chemical Name:
2-(Diethoxymethyl)-1H-benzimidazole
CAS Number:
13109-82-5
Molecular Formula:
C12H16N2O2
Molecular Weight:
220.2676
MDL Number:
MFCD06809658
IUPAC Name:
2-(diethoxymethyl)-1H-benzimidazole
InChI:
InChI=1S/C12H16N2O2/c1-3-15-12(16-4-2)11-13-9-7-5-6-8-10(9)14-11/h5-8,12H,3-4H2,1-2H3,(H,13,14)
InChI Key:
HJQKHEYWEHJTGQ-UHFFFAOYSA-N
SMILES:
CCOC(c1nc2c([nH]1)cccc2)OCC
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.121g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.272g/mol
Monoisotopic Mass:
220.121g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
47.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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