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79938-40-2 | 1H-Benzimidazole, 1-ethyl-5-methoxy-
CAS No: 79938-40-2 Catalog No: AG0054IB MDL No:
Product Description
Catalog Number:
AG0054IB
Chemical Name:
1H-Benzimidazole, 1-ethyl-5-methoxy-
CAS Number:
79938-40-2
Molecular Formula:
C10H12N2O
Molecular Weight:
176.2151
IUPAC Name:
1-ethyl-5-methoxybenzimidazole
InChI:
InChI=1S/C10H12N2O/c1-3-12-7-11-9-6-8(13-2)4-5-10(9)12/h4-7H,3H2,1-2H3
InChI Key:
OOYWUJOGJNQRCK-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)ncn2CC
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.095g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.219g/mol
Monoisotopic Mass:
176.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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