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898784-91-3 | 3'-IODO-2-(2-METHOXYPHENYL)ACETOPHENONE
CAS No: 898784-91-3 Catalog No: AG00GXNN MDL No:
Product Description
Catalog Number:
AG00GXNN
Chemical Name:
3'-IODO-2-(2-METHOXYPHENYL)ACETOPHENONE
CAS Number:
898784-91-3
Molecular Formula:
C15H13IO2
Molecular Weight:
352.1670
IUPAC Name:
1-(3-iodophenyl)-2-(2-methoxyphenyl)ethanone
InChI:
InChI=1S/C15H13IO2/c1-18-15-8-3-2-5-12(15)10-14(17)11-6-4-7-13(16)9-11/h2-9H,10H2,1H3
InChI Key:
NVFQFJFCFBZXON-UHFFFAOYSA-N
SMILES:
COc1ccccc1CC(=O)c1cccc(c1)I
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.996g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
352.171g/mol
Monoisotopic Mass:
351.996g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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