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

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

CAS: 907200-66-2

Formula: C13H14ClNO3

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

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

InChI: InChI=1S/C13H14ClNO3/c1-8-10(7-14)15-13(18-8)9-4-5-11(16-2)12(6-9)17-3/h4-6H,7H2,1-3H3

Composition: C (58.33%), H (5.27%), Cl (13.24%), N (5.23%), O (17.93%)

Molar Mass: 267.71

Atom Count: 32

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	267.066221
Formal Charge	0
FSP3	0.31
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	CWEJNAPEPLYACX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	79.29
Topological Polar Surface Area	44.49
Polarizability	27.07
Ring Count	2
Rotatable Bond Count	4

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