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674776-90-0 | Benzoic acid, 2-iodyl-,1-methylethyl ester
CAS No: 674776-90-0 Catalog No: AG006GR5 MDL No:
Product Description
Catalog Number:
AG006GR5
Chemical Name:
Benzoic acid, 2-iodyl-,1-methylethyl ester
CAS Number:
674776-90-0
Molecular Formula:
C10H11IO4
Molecular Weight:
322.0964
IUPAC Name:
1-iodylpropan-2-yl benzoate
InChI:
InChI=1S/C10H11IO4/c1-8(7-11(13)14)15-10(12)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3
InChI Key:
WFTSEQUJNJQXRK-UHFFFAOYSA-N
SMILES:
CC(C[I](=O)=O)OC(=O)c1ccccc1
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.97g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
322.098g/mol
Monoisotopic Mass:
321.97g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
60.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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