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1199773-13-1 | 1H-Benzimidazole, 5-bromo-1-propyl-, hydrochloride (1:1)
CAS No: 1199773-13-1 Catalog No: AG000PWF MDL No:MFCD13195718
Product Description
Catalog Number:
AG000PWF
Chemical Name:
1H-Benzimidazole, 5-bromo-1-propyl-, hydrochloride (1:1)
CAS Number:
1199773-13-1
Molecular Formula:
C10H12BrClN2
Molecular Weight:
275.5727
MDL Number:
MFCD13195718
IUPAC Name:
5-bromo-1-propylbenzimidazole;hydrochloride
InChI:
InChI=1S/C10H11BrN2.ClH/c1-2-5-13-7-12-9-6-8(11)3-4-10(9)13;/h3-4,6-7H,2,5H2,1H3;1H
InChI Key:
XOFBBZYKXVDVKS-UHFFFAOYSA-N
SMILES:
CCCn1cnc2c1ccc(c2)Br.Cl
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.987g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
275.574g/mol
Monoisotopic Mass:
273.987g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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