5-(4-chlorophenyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid

5-(4-chlorophenyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid

CAS: 1018051-43-8

Formula: C10H8ClNO3

SMILES: OC(=O)C1=NOC(C1)C1=CC=C(Cl)C=C1

IUPAC: 5-(4-chlorophenyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid

InChI: InChI=1/C10H8ClNO3/c11-7-3-1-6(2-4-7)9-5-8(10(13)14)12-15-9/h1-4,9H,5H2,(H,13,14)

Composition: C (53.23%), H (3.57%), Cl (15.71%), N (6.21%), O (21.27%)

Molar Mass: 225.63

Atom Count: 23

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	225.0192708
Formal Charge	0
FSP3	0.2
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	LNDRHUYPIJWCEO-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	53.52
Topological Polar Surface Area	58.89
Polarizability	20.86
Ring Count	2
Rotatable Bond Count	2

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