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185033-78-7 | 2-(2-IODO-3,4-DIMETHOXY-PHENYL)-4,4-DIMETHYL-4,5-DIHYDRO-OXAZOLE
CAS No: 185033-78-7 Catalog No: AG01DFSD MDL No:MFCD20274225
Product Description
Catalog Number:
AG01DFSD
Chemical Name:
2-(2-IODO-3,4-DIMETHOXY-PHENYL)-4,4-DIMETHYL-4,5-DIHYDRO-OXAZOLE
CAS Number:
185033-78-7
Molecular Formula:
C13H16INO3
Molecular Weight:
361.1755
MDL Number:
MFCD20274225
IUPAC Name:
2-(2-iodo-3,4-dimethoxyphenyl)-4,4-dimethyl-5H-1,3-oxazole
InChI:
InChI=1S/C13H16INO3/c1-13(2)7-18-12(15-13)8-5-6-9(16-3)11(17-4)10(8)14/h5-6H,7H2,1-4H3
InChI Key:
ILGYGIOAAXTARD-UHFFFAOYSA-N
SMILES:
COc1c(OC)ccc(c1I)C1=NC(CO1)(C)C
EC Number:
606-045-8
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
361.017g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
361.179g/mol
Monoisotopic Mass:
361.017g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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