CAS 35277-02-2

1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-fluoro-1H-pyrazole

2.1.2 InChI

InChI=1S/C3H3FN2/c4-3-1-5-6-2-3/h1-2H,(H,5,6)

2.1.3 InChI Key

RYXJXPHWRBWEEB-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=C(C=NN1)F

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 35277-02-2

2. 4-fluoropyrazole

3. C3h3fn2

4. Mfcd10699125

5. 1h-pyrazole, 4-fluoro-

6. 4-fluoro-1h-pyrazole, 95%

7. Dtxsid60956716

8. Ryxjxphwrbweeb-uhfffaoysa-n

9. Amy34972

10. Bbl102264

11. Stl556063

12. Akos005255328

13. Ab62567

14. Sy031964

15. Db-069188

16. Cs-0040458

17. En300-125422

18. A854681

2.3 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₃H₃FN₂
Molecular Weight	86.07 g/mol
XLogP3	-0.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	28.7
Heavy Atom Count	6
Formal Charge	0
Complexity	48.1
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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