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88723-63-1 | Ethanone, 2-bromo-1-[2-(ethylmethylamino)-1H-imidazol-4-yl]-
CAS No: 88723-63-1 Catalog No: AG0046L1 MDL No:
Product Description
Catalog Number:
AG0046L1
Chemical Name:
Ethanone, 2-bromo-1-[2-(ethylmethylamino)-1H-imidazol-4-yl]-
CAS Number:
88723-63-1
Molecular Formula:
C8H12BrN3O
Molecular Weight:
246.1044
IUPAC Name:
2-bromo-1-[2-[ethyl(methyl)amino]-1H-imidazol-5-yl]ethanone
InChI:
InChI=1S/C8H12BrN3O/c1-3-12(2)8-10-5-6(11-8)7(13)4-9/h5H,3-4H2,1-2H3,(H,10,11)
InChI Key:
FIGFBHUKSZTWHR-UHFFFAOYSA-N
SMILES:
CCN(c1[nH]cc(n1)C(=O)CBr)C
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.016g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
246.108g/mol
Monoisotopic Mass:
245.016g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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