6-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole

6-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole

CAS: 912331-84-1

Formula: C14H17BClNO2

SMILES: CC1(C)OB(OC1(C)C)C1=CC2=CC=C(Cl)C=C2N1

IUPAC: 6-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole

InChI: InChI=1S/C14H17BClNO2/c1-13(2)14(3,4)19-15(18-13)12-7-9-5-6-10(16)8-11(9)17-12/h5-8,17H,1-4H3

Composition: C (60.58%), H (6.17%), B (3.89%), Cl (12.77%), N (5.05%), O (11.53%)

Molar Mass: 277.56

Atom Count: 36

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	277.104086
Formal Charge	0
FSP3	0.43
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	WYCUFMHCRJWJRE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	70.86
Topological Polar Surface Area	34.25
Polarizability	31.08
Ring Count	3
Rotatable Bond Count	1

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