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16114-53-7 | Isoxazole, 4-iodo-3-methyl-5-phenyl-
CAS No: 16114-53-7 Catalog No: AG001S7U MDL No:MFCD03086126
Product Description
Catalog Number:
AG001S7U
Chemical Name:
Isoxazole, 4-iodo-3-methyl-5-phenyl-
CAS Number:
16114-53-7
Molecular Formula:
C10H8INO
Molecular Weight:
285.0811
MDL Number:
MFCD03086126
IUPAC Name:
4-iodo-3-methyl-5-phenyl-1,2-oxazole
InChI:
InChI=1S/C10H8INO/c1-7-9(11)10(13-12-7)8-5-3-2-4-6-8/h2-6H,1H3
InChI Key:
RLZGZJOMCXKYIW-UHFFFAOYSA-N
SMILES:
Cc1noc(c1I)c1ccccc1
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.965g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.084g/mol
Monoisotopic Mass:
284.965g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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