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927689-68-7 | ((4R,5R)-5-(4-Iodophenyl)-2-phenyl-4,5-dihydrooxazol-4-yl)methanol
CAS No: 927689-68-7 Catalog No: AG0060VA MDL No:MFCD10687188
Product Description
Catalog Number:
AG0060VA
Chemical Name:
((4R,5R)-5-(4-Iodophenyl)-2-phenyl-4,5-dihydrooxazol-4-yl)methanol
CAS Number:
927689-68-7
Molecular Formula:
C16H14INO2
Molecular Weight:
379.1923
MDL Number:
MFCD10687188
IUPAC Name:
[(4R,5R)-5-(4-iodophenyl)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol
InChI:
InChI=1S/C16H14INO2/c17-13-8-6-11(7-9-13)15-14(10-19)18-16(20-15)12-4-2-1-3-5-12/h1-9,14-15,19H,10H2/t14-,15-/m1/s1
InChI Key:
ZCFMVNLKICQFTI-HUUCEWRRSA-N
SMILES:
OC[C@H]1N=C(O[C@@H]1c1ccc(cc1)I)c1ccccc1
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
379.007g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
379.197g/mol
Monoisotopic Mass:
379.007g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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