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88723-50-6 | Ethanone, 2-bromo-1-[2-[(1-methylpropyl)amino]-1H-imidazol-4-yl]-
CAS No: 88723-50-6 Catalog No: AG0046L7 MDL No:
Product Description
Catalog Number:
AG0046L7
Chemical Name:
Ethanone, 2-bromo-1-[2-[(1-methylpropyl)amino]-1H-imidazol-4-yl]-
CAS Number:
88723-50-6
Molecular Formula:
C9H14BrN3O
Molecular Weight:
260.1310
IUPAC Name:
2-bromo-1-[2-(butan-2-ylamino)-1H-imidazol-5-yl]ethanone
InChI:
InChI=1S/C9H14BrN3O/c1-3-6(2)12-9-11-5-7(13-9)8(14)4-10/h5-6H,3-4H2,1-2H3,(H2,11,12,13)
InChI Key:
IRCKYKCVGRAJCI-UHFFFAOYSA-N
SMILES:
CCC(Nc1[nH]cc(n1)C(=O)CBr)C
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.032g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
260.135g/mol
Monoisotopic Mass:
259.032g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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