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

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

CAS: 475481-99-3

Formula: C12H12ClNO2

SMILES: COC1=C(C=CC=C1)C1=NC(CCl)=C(C)O1

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

InChI: InChI=1S/C12H12ClNO2/c1-8-10(7-13)14-12(16-8)9-5-3-4-6-11(9)15-2/h3-6H,7H2,1-2H3

Composition: C (60.64%), H (5.09%), Cl (14.91%), N (5.89%), O (13.46%)

Molar Mass: 237.68

Atom Count: 28

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 237.0556563
Formal Charge 0
FSP3 0.25
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey QMMLKPSOYQWNEP-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 72.83
Topological Polar Surface Area 35.26
Polarizability 24.53
Ring Count 2
Rotatable Bond Count 3

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