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4-iodo-5-methyl-3-phenyl-1,2-oxazole

4-iodo-5-methyl-3-phenyl-1,2-oxazole

CAS: 31295-66-6

Formula: C10H8INO

SMILES: CC1=C(I)C(=NO1)C1=CC=CC=C1

IUPAC: 4-iodo-5-methyl-3-phenyl-1,2-oxazole

InChI: InChI=1S/C10H8INO/c1-7-9(11)10(12-13-7)8-5-3-2-4-6-8/h2-6H,1H3

Composition: C (42.13%), H (2.83%), I (44.51%), N (4.91%), O (5.61%)

Molar Mass: 285.084

Atom Count: 21

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 284.96506
Formal Charge 0
FSP3 0.1
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey DDVPBKUHWSZYIP-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 60.78
Topological Polar Surface Area 26.03
Polarizability 24.09
Ring Count 2
Rotatable Bond Count 1

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