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2453-51-2

2453-51-2 | 1H-Benzimidazole-2-butanol

CAS No: 2453-51-2 Catalog No: AG002OGG MDL No:

Product Description

Catalog Number:
AG002OGG
Chemical Name:
1H-Benzimidazole-2-butanol
CAS Number:
2453-51-2
Molecular Formula:
C11H14N2O
Molecular Weight:
190.2417
IUPAC Name:
4-(1H-benzimidazol-2-yl)butan-1-ol
InChI:
InChI=1S/C11H14N2O/c14-8-4-3-7-11-12-9-5-1-2-6-10(9)13-11/h1-2,5-6,14H,3-4,7-8H2,(H,12,13)
InChI Key:
WNWSYLRIXYUXAA-UHFFFAOYSA-N
SMILES:
OCCCCc1nc2c([nH]1)cccc2

Properties

Complexity:
175  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.111g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
190.246g/mol
Monoisotopic Mass:
190.111g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
48.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  

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