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189893-64-9 | Ethanone, 2-bromo-1-(3-methoxy-5-isoxazolyl)-, oxime
CAS No: 189893-64-9 Catalog No: AG002E3R MDL No:
Product Description
Catalog Number:
AG002E3R
Chemical Name:
Ethanone, 2-bromo-1-(3-methoxy-5-isoxazolyl)-, oxime
CAS Number:
189893-64-9
Molecular Formula:
C6H7BrN2O3
Molecular Weight:
235.0354
IUPAC Name:
N-[2-bromo-1-(3-methoxy-1,2-oxazol-5-yl)ethylidene]hydroxylamine
InChI:
InChI=1S/C6H7BrN2O3/c1-11-6-2-5(12-9-6)4(3-7)8-10/h2,10H,3H2,1H3
InChI Key:
OTCQOFQOVTVYEO-UHFFFAOYSA-N
SMILES:
COc1cc(on1)C(=NO)CBr
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.964g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.037g/mol
Monoisotopic Mass:
233.964g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.7
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