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108521-58-0 | Benzoic acid, 2-iodo-, 2-propynyl ester
CAS No: 108521-58-0 Catalog No: AG007UQW MDL No:
Product Description
Catalog Number:
AG007UQW
Chemical Name:
Benzoic acid, 2-iodo-, 2-propynyl ester
CAS Number:
108521-58-0
Molecular Formula:
C10H7IO2
Molecular Weight:
286.0659
IUPAC Name:
prop-2-ynyl 2-iodobenzoate
InChI:
InChI=1S/C10H7IO2/c1-2-7-13-10(12)8-5-3-4-6-9(8)11/h1,3-6H,7H2
InChI Key:
QXHQIEWTUPKILK-UHFFFAOYSA-N
SMILES:
C#CCOC(=O)c1ccccc1I
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.949g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.068g/mol
Monoisotopic Mass:
285.949g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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