4CH-012053

1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-chloro-[1,3]oxazolo[5,4-c]pyridine

2.1.2 InChI

InChI=1S/C6H3ClN2O/c7-6-9-4-1-2-8-3-5(4)10-6/h1-3H

2.1.3 InChI Key

CVNMRDXBPVOJFI-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CN=CC2=C1N=C(O2)Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 916792-10-4

2. 2-chloro[1,3]oxazolo[5,4-c]pyridine

3. 2-chloro-[1,3]oxazolo[5,4-c]pyridine

4. Mfcd07781161

5. Schembl21583676

6. Dtxsid10672616

7. Zinc55045520

8. Akos016002492

9. Sy273675

10. Ts-02063

11. A860263

2.3 Create Date

2010-06-22

3 Chemical and Physical Properties

Molecular Formula	C₆H₃ClN₂O
Molecular Weight	154.55 g/mol
XLogP3	1.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	153.9933904 g/mol
Monoisotopic Mass	153.9933904 g/mol
Topological Polar Surface Area	38.9 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	133
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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