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88723-44-8

88723-44-8 | Ethanone, 2-bromo-1-[2-(hexylamino)-1H-imidazol-4-yl]-

CAS No: 88723-44-8 Catalog No: AG0046L8 MDL No:

Product Description

Catalog Number:
AG0046L8
Chemical Name:
Ethanone, 2-bromo-1-[2-(hexylamino)-1H-imidazol-4-yl]-
CAS Number:
88723-44-8
Molecular Formula:
C11H18BrN3O
Molecular Weight:
288.1841
IUPAC Name:
2-bromo-1-[2-(hexylamino)-1H-imidazol-5-yl]ethanone
InChI:
InChI=1S/C11H18BrN3O/c1-2-3-4-5-6-13-11-14-8-9(15-11)10(16)7-12/h8H,2-7H2,1H3,(H2,13,14,15)
InChI Key:
LGJGSBQINQLXCW-UHFFFAOYSA-N
SMILES:
CCCCCCNc1[nH]cc(n1)C(=O)CBr

Properties

Complexity:
213  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.063g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
288.189g/mol
Monoisotopic Mass:
287.063g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  

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