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1199773-42-6 | 1H-Benzimidazole, 5-bromo-1-butyl-, hydrochloride (1:1)
CAS No: 1199773-42-6 Catalog No: AG000PYE MDL No:MFCD13195719
Product Description
Catalog Number:
AG000PYE
Chemical Name:
1H-Benzimidazole, 5-bromo-1-butyl-, hydrochloride (1:1)
CAS Number:
1199773-42-6
Molecular Formula:
C11H14BrClN2
Molecular Weight:
289.5993
MDL Number:
MFCD13195719
IUPAC Name:
5-bromo-1-butylbenzimidazole;hydrochloride
InChI:
InChI=1S/C11H13BrN2.ClH/c1-2-3-6-14-8-13-10-7-9(12)4-5-11(10)14;/h4-5,7-8H,2-3,6H2,1H3;1H
InChI Key:
CSPVGDHDGPLKFJ-UHFFFAOYSA-N
SMILES:
CCCCn1cnc2c1ccc(c2)Br.Cl
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.003g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
289.601g/mol
Monoisotopic Mass:
288.003g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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