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119647-24-4 | 1-Butanone, 1-(3-bromo-5-isoxazolyl)-, oxime, (Z)- (9CI)
CAS No: 119647-24-4 Catalog No: AG000PF1 MDL No:
Product Description
Catalog Number:
AG000PF1
Chemical Name:
1-Butanone, 1-(3-bromo-5-isoxazolyl)-, oxime, (Z)- (9CI)
CAS Number:
119647-24-4
Molecular Formula:
C7H9BrN2O2
Molecular Weight:
233.0626
IUPAC Name:
N-[1-(3-bromo-1,2-oxazol-5-yl)butylidene]hydroxylamine
InChI:
InChI=1S/C7H9BrN2O2/c1-2-3-5(9-11)6-4-7(8)10-12-6/h4,11H,2-3H2,1H3
InChI Key:
ITQQXQLEWSGILA-UHFFFAOYSA-N
SMILES:
CCC/C(=N/O)/c1cc(no1)Br
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.985g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.065g/mol
Monoisotopic Mass:
231.985g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.5
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