1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-chloro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2,2,2-trifluoroethyl)indazol-3-amine

2.1.2 InChI

InChI=1S/C15H18BClF3N3O2/c1-13(2)14(3,4)25-16(24-13)8-5-6-9(17)10-11(8)23(22-12(10)21)7-15(18,19)20/h5-6H,7H2,1-4H3,(H2,21,22)

2.1.3 InChI Key

UPVNVWWQWJYPRN-UHFFFAOYSA-N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 2189684-53-3

2. 4-chloro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2,2,2-trifluoroethyl)indazol-3-amine

3. Starbld0003610

4. Upvnvwwqwjyprn-uhfffaoysa-n

5. Mfcd34471206

6. Cs-0147010

7. G65407

2.3 Create Date

2019-12-06

3 Chemical and Physical Properties

Molecular Formula	C₁₅H₁₈BClF₃N₃O₂
Molecular Weight	375.6 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	2
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	62.3
Heavy Atom Count	25
Formal Charge	0
Complexity	507
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

4-Chloro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-(2,2,2-trifluoroethyl)-1H-indazol-3-amine