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116465-66-8 | 1H-Benzimidazole-1-ethanol, 5-bromo-
CAS No: 116465-66-8 Catalog No: AG000CKW MDL No:
Product Description
Catalog Number:
AG000CKW
Chemical Name:
1H-Benzimidazole-1-ethanol, 5-bromo-
CAS Number:
116465-66-8
Molecular Formula:
C9H9BrN2O
Molecular Weight:
241.0846
IUPAC Name:
2-(5-bromobenzimidazol-1-yl)ethanol
InChI:
InChI=1S/C9H9BrN2O/c10-7-1-2-9-8(5-7)11-6-12(9)3-4-13/h1-2,5-6,13H,3-4H2
InChI Key:
TXUZNUCTJODRQT-UHFFFAOYSA-N
SMILES:
OCCn1cnc2c1ccc(c2)Br
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.99g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
241.088g/mol
Monoisotopic Mass:
239.99g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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