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4-(chloromethyl)-5-methyl-2-(4-methylphenyl)-1,3-oxazole

4-(chloromethyl)-5-methyl-2-(4-methylphenyl)-1,3-oxazole

CAS: 137090-44-9

Formula: C12H12ClNO

SMILES: CC1=C(CCl)N=C(O1)C1=CC=C(C)C=C1

IUPAC: 4-(chloromethyl)-5-methyl-2-(4-methylphenyl)-1,3-oxazole

InChI: InChI=1S/C12H12ClNO/c1-8-3-5-10(6-4-8)12-14-11(7-13)9(2)15-12/h3-6H,7H2,1-2H3

Composition: C (65.02%), H (5.46%), Cl (15.99%), N (6.32%), O (7.22%)

Molar Mass: 221.68

Atom Count: 27

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 221.0607417
Formal Charge 0
FSP3 0.25
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey DQTOUJFUSUPWOK-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 71.4
Topological Polar Surface Area 26.03
Polarizability 23.76
Ring Count 2
Rotatable Bond Count 2

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