2-chloro-1,3-oxazole-5-carboxylic acid

2-chloro-1,3-oxazole-5-carboxylic acid

CAS: 1555623-55-6

Formula: C4H2ClNO3

SMILES: OC(=O)C1=CN=C(Cl)O1

IUPAC: 2-chloro-1,3-oxazole-5-carboxylic acid

InChI: InChI=1S/C4H2ClNO3/c5-4-6-1-2(9-4)3(7)8/h1H,(H,7,8)

Composition: C (32.57%), H (1.37%), Cl (24.03%), N (9.50%), O (32.54%)

Molar Mass: 147.51

Atom Count: 11

Heavy Atom Count: 9

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	146.9723206
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	YPVRRKXUYHUYGA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	28.93
Topological Polar Surface Area	63.33
Polarizability	11.01
Ring Count	1
Rotatable Bond Count	1

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