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921601-30-1 | Phenol, 2-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)-4-iodo-
CAS No: 921601-30-1 Catalog No: AG00657V MDL No:
Product Description
Catalog Number:
AG00657V
Chemical Name:
Phenol, 2-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)-4-iodo-
CAS Number:
921601-30-1
Molecular Formula:
C11H12INO2
Molecular Weight:
317.1230
IUPAC Name:
2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-iodophenol
InChI:
InChI=1S/C11H12INO2/c1-11(2)6-15-10(13-11)8-5-7(12)3-4-9(8)14/h3-5,14H,6H2,1-2H3
InChI Key:
WFDXYDQIYVOANH-UHFFFAOYSA-N
SMILES:
CC1(C)COC(=N1)c1cc(I)ccc1O
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.991g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
317.126g/mol
Monoisotopic Mass:
316.991g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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