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88723-64-2 | Ethanone, 2-bromo-1-[2-(diethylamino)-1H-imidazol-4-yl]-
CAS No: 88723-64-2 Catalog No: AG0045NA MDL No:
Product Description
Catalog Number:
AG0045NA
Chemical Name:
Ethanone, 2-bromo-1-[2-(diethylamino)-1H-imidazol-4-yl]-
CAS Number:
88723-64-2
Molecular Formula:
C9H14BrN3O
Molecular Weight:
260.1310
IUPAC Name:
2-bromo-1-[2-(diethylamino)-1H-imidazol-5-yl]ethanone
InChI:
InChI=1S/C9H14BrN3O/c1-3-13(4-2)9-11-6-7(12-9)8(14)5-10/h6H,3-5H2,1-2H3,(H,11,12)
InChI Key:
MMVFKAXNXOGORP-UHFFFAOYSA-N
SMILES:
CCN(c1[nH]cc(n1)C(=O)CBr)CC
Properties
Complexity:
197
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:
1
Isotope Atom Count:
0
Molecular Weight:
260.135g/mol
Monoisotopic Mass:
259.032g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
49A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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