AG00HEM8

1185427-32-0 | 1-Methyl-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine

AG00HEM8

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CAS Number	1185427-32-0
Catalog Number	AG00HEM8(AGN-PC-0WBSPO)
Chemical Name	1-Methyl-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine
IUPAC Name	1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine
InChI	InChI=1S/C14H19BN2O2/c1-13(2)14(3,4)19-15(18-13)11-9-17(5)12-10(11)7-6-8-16-12/h6-9H,1-5H3
InChI Key	UEHHPVDDZMJIPO-UHFFFAOYSA-N
MDL Number	MFCD16995988
Molecular Formula	C14H19BN2O2
Molecular Weight	258.1239
SMILES	CC1(C)C(C)(C)OB(C2=CN(C)C3=NC=CC=C32)O1
Synonyms	1185427-32-0, 1-methyl-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine, 1-METHYL-3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRROLO[2,3-B]PYRIDINE, (1-Methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)boronic acid pinacol ester, SCHEMBL1895661, MFCD16995988, AKOS025293612, ZINC169988743, FCH2776233, MB19578, KS-000005S1, AS-52539, OR361486, CS-0052450, K-1297,

Complexity	345
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	258.154g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	258.128g/mol
Monoisotopic Mass	258.154g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	36.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H317
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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