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20026-45-3 | Palladium, bis[3-(benzylimino)-2'-chloro-2-oxobutyranilide 2-oximato]- (8CI)
CAS No: 20026-45-3 Catalog No: AG002CMO MDL No:
Product Description
Catalog Number:
AG002CMO
Chemical Name:
Palladium, bis[3-(benzylimino)-2'-chloro-2-oxobutyranilide 2-oximato]- (8CI)
CAS Number:
20026-45-3
Molecular Formula:
C8H11BrO4
Molecular Weight:
251.0745
IUPAC Name:
methyl 4-(2-bromopropanoyloxy)but-2-enoate
InChI:
InChI=1S/C8H11BrO4/c1-6(9)8(11)13-5-3-4-7(10)12-2/h3-4,6H,5H2,1-2H3
InChI Key:
FSWAFTUYIQPALX-UHFFFAOYSA-N
SMILES:
COC(=O)/C=C/COC(=O)C(Br)C
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.984g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.076g/mol
Monoisotopic Mass:
249.984g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
1.5
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