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925982-52-1 | Benzoic acid, 4-cyano-, 4-iodophenyl ester
CAS No: 925982-52-1 Catalog No: AG006G2N MDL No:
Product Description
Catalog Number:
AG006G2N
Chemical Name:
Benzoic acid, 4-cyano-, 4-iodophenyl ester
CAS Number:
925982-52-1
Molecular Formula:
C14H8INO2
Molecular Weight:
349.1233
IUPAC Name:
(4-iodophenyl) 4-cyanobenzoate
InChI:
InChI=1S/C14H8INO2/c15-12-5-7-13(8-6-12)18-14(17)11-3-1-10(9-16)2-4-11/h1-8H
InChI Key:
FQTRLQJAMQLRBV-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)C(=O)Oc1ccc(cc1)I
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.96g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
349.127g/mol
Monoisotopic Mass:
348.96g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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