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84208-78-6 | Butanoic acid, 4-bromo-2-(methoxyimino)-3-oxo-, methyl ester, (Z)-
CAS No: 84208-78-6 Catalog No: AG004ORR MDL No:
Product Description
Catalog Number:
AG004ORR
Chemical Name:
Butanoic acid, 4-bromo-2-(methoxyimino)-3-oxo-, methyl ester, (Z)-
CAS Number:
84208-78-6
Molecular Formula:
C6H8BrNO4
Molecular Weight:
238.0360
IUPAC Name:
methyl (2Z)-4-bromo-2-methoxyimino-3-oxobutanoate
InChI:
InChI=1S/C6H8BrNO4/c1-11-6(10)5(8-12-2)4(9)3-7/h3H2,1-2H3/b8-5-
InChI Key:
GJHFBYADZNZZED-YVMONPNESA-N
SMILES:
CO/N=C(\C(=O)OC)/C(=O)CBr
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
236.964g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.037g/mol
Monoisotopic Mass:
236.964g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
65A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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