4-(2-chlorophenoxymethyl)-5-methyl-1,2-oxazole-3-carboxylic acid

4-(2-chlorophenoxymethyl)-5-methyl-1,2-oxazole-3-carboxylic acid

CAS: 905810-50-6

Formula: C12H10ClNO4

SMILES: CC1=C(COC2=C(Cl)C=CC=C2)C(=NO1)C(O)=O

IUPAC: 4-[(2-chlorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxylic acid

InChI: InChI=1S/C12H10ClNO4/c1-7-8(11(12(15)16)14-18-7)6-17-10-5-3-2-4-9(10)13/h2-5H,6H2,1H3,(H,15,16)

Composition: C (53.85%), H (3.77%), Cl (13.24%), N (5.23%), O (23.91%)

Molar Mass: 267.67

Atom Count: 28

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	267.0298355
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	RGXQIXVPWCUTJK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	65.41
Topological Polar Surface Area	72.56
Polarizability	24.55
Ring Count	2
Rotatable Bond Count	4

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