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Also known as: 1108745-30-7, 3-amino-5-(3,5-difluorobenzyl)-1h-indazole, 5-[(3,5-difluorophenyl)methyl]-1h-indazol-3-amine, Mfcd28129098, Schembl3510229, Bcp30824
Molecular Formula
C14H11F2N3
Molecular Weight
259.25  g/mol
InChI Key
CZQCRNRCCQSJHD-UHFFFAOYSA-N

CAS 1108745-30-7
1 2D Structure

CAS 1108745-30-7

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-amine
2.1.2 InChI
InChI=1S/C14H11F2N3/c15-10-4-9(5-11(16)7-10)3-8-1-2-13-12(6-8)14(17)19-18-13/h1-2,4-7H,3H2,(H3,17,18,19)
2.1.3 InChI Key
CZQCRNRCCQSJHD-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC2=C(C=C1CC3=CC(=CC(=C3)F)F)C(=NN2)N
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 1108745-30-7

2. 3-amino-5-(3,5-difluorobenzyl)-1h-indazole

3. 5-[(3,5-difluorophenyl)methyl]-1h-indazol-3-amine

4. Mfcd28129098

5. Schembl3510229

6. Bcp30824

7. Akos030568350

8. Zinc140715652

9. Sb18040

10. Ac-31287

11. As-64916

12. Da-38725

13. Sy060686

14. Cs-0056813

15. Ft-0718818

16. W16870

17. 5-(3,5-difluoro-benzyl)-1h-indazol-3-ylamine

18. A905927

19. 5-(3,5-difluorobenzyl)-1h-indazol-3-amine;3-amino-5-(3,5-difluorobenzyl)-1h-indazole

2.3 Create Date
2009-08-03
3 Chemical and Physical Properties
Molecular Weight 259.25 g/mol
Molecular Formula C14H11F2N3
XLogP33.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass259.09210369 g/mol
Monoisotopic Mass259.09210369 g/mol
Topological Polar Surface Area54.7 Ų
Heavy Atom Count19
Formal Charge0
Complexity305
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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