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131379-40-3 | Zinc, bromo[2-(ethoxycarbonyl-κO)phenyl-κC]-
CAS No: 131379-40-3 Catalog No: AG000W1Q MDL No:
Product Description
Catalog Number:
AG000W1Q
Chemical Name:
Zinc, bromo[2-(ethoxycarbonyl-κO)phenyl-κC]-
CAS Number:
131379-40-3
Molecular Formula:
C9H9BrO2Zn
Molecular Weight:
294.4506
IUPAC Name:
bromozinc(1+);ethyl benzoate
InChI:
InChI=1S/C9H9O2.BrH.Zn/c1-2-11-9(10)8-6-4-3-5-7-8;;/h3-6H,2H2,1H3;1H;/q-1;;+2/p-1
InChI Key:
LRSRESIMIGVTLH-UHFFFAOYSA-M
SMILES:
CCOC(=O)c1ccccc1[Zn+].[Br-]
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.908g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.453g/mol
Monoisotopic Mass:
291.908g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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