AG003D42

870717-93-4 | 1-(Phenylsulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole

AG003D42

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CAS Number	870717-93-4
Catalog Number	AG003D42(AGN-PC-00UQQT)
Chemical Name	1-(Phenylsulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole
IUPAC Name	1-(benzenesulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole
InChI	InChI=1S/C20H22BNO4S/c1-19(2)20(3,4)26-21(25-19)17-14-22(18-13-9-8-12-16(17)18)27(23,24)15-10-6-5-7-11-15/h5-14H,1-4H3
InChI Key	OMZLHWZHHPAZPW-UHFFFAOYSA-N
MDL Number	MFCD08276778
Molecular Formula	C20H22BNO4S
Molecular Weight	383.2690
SMILES	CC1(C)C(C)(C)OB(C2=CN(S(=O)(C3=CC=CC=C3)=O)C4=C2C=CC=C4)O1
Synonyms	870717-93-4, 1-(Phenylsulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole, 1-(Phenylsulfonyl)-3-indoleboronic acid pinacol ester, 1-(Phenylsulfonyl)indole-3-boronic acid pinacol ester, 1-(benzenesulfonyl)-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole, 1-(Phenylsulfonyl)-3-indolylboronic acid pinacol ester, (1-(PHENYLSULFONYL)-1H-INDOL-3-YL)BORONIC ACID PINACOL ESTER, OMZLHWZHHPAZPW-UHFFFAOYSA-N, SCHEMBL3528138, CTK8B9895, DTXSID60584674, CS-B1224, KS-000007FL, ANW-63460, MFCD08276778, AKOS016003614, ZINC169747613, PB29512, QC-3788, AK-80403, AM804446, AS-38211, BC001350, OR361532, AB0076868, AX8051809, 4CH-000325, FT-0753119, ST24037643, B-4238, 1-(Phenylsulfonyl)indole-3-boronic acid pinacol ester, 97%, 1-(Phenylsulfonyl)-3-indolylboronic acid pinacol ester, 97%, 1-(BENZENESULFONYL)-3-(TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)INDOLE, 1-(Benzenesulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole, 1-(Benzenesulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole, 1-BENZENESULFONYL-3-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-1H-INDOLE, 1H-INDOLE, 1-(PHENYLSULFONYL)-3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-,

Complexity	637
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	383.136g/mol
Formal Charge	0
Heavy Atom Count	27
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	383.269g/mol
Monoisotopic Mass	383.136g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	65.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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