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88723-51-7 | Ethanone, 2-bromo-1-[2-[(3-methylbutyl)amino]-1H-imidazol-4-yl]-
CAS No: 88723-51-7 Catalog No: AG0046L6 MDL No:
Product Description
Catalog Number:
AG0046L6
Chemical Name:
Ethanone, 2-bromo-1-[2-[(3-methylbutyl)amino]-1H-imidazol-4-yl]-
CAS Number:
88723-51-7
Molecular Formula:
C10H16BrN3O
Molecular Weight:
274.1575
IUPAC Name:
2-bromo-1-[2-(3-methylbutylamino)-1H-imidazol-5-yl]ethanone
InChI:
InChI=1S/C10H16BrN3O/c1-7(2)3-4-12-10-13-6-8(14-10)9(15)5-11/h6-7H,3-5H2,1-2H3,(H2,12,13,14)
InChI Key:
YHJDDFRBXJMXEZ-UHFFFAOYSA-N
SMILES:
BrCC(=O)c1nc([nH]c1)NCCC(C)C
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.048g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
274.162g/mol
Monoisotopic Mass:
273.048g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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