AG003M7R

676501-89-6 | 5-(Methoxycarbonyl)pyrrole-2-boronic acid, pinacol ester

AG003M7R

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CAS Number	676501-89-6
Catalog Number	AG003M7R(AGN-PC-0TPJSI)
Chemical Name	5-(Methoxycarbonyl)pyrrole-2-boronic acid, pinacol ester
IUPAC Name	methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrole-2-carboxylate
InChI	InChI=1S/C12H18BNO4/c1-11(2)12(3,4)18-13(17-11)9-7-6-8(14-9)10(15)16-5/h6-7,14H,1-5H3
InChI Key	FRSWTKGVRPGQPF-UHFFFAOYSA-N
MDL Number	MFCD11855971
Molecular Formula	C12H18BNO4
Molecular Weight	251.0866
SMILES	O=C(C1=CC=C(B2OC(C)(C)C(C)(C)O2)N1)OC
Synonyms	676501-89-6, Methyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrole-2-carboxylate, 5-(Methoxycarbonyl)pyrrole-2-boronic acid, pinacol ester, 5-(METHOXYCARBONYL)PYRROLE-2-BORONIC ACID PINACOL ESTER, CTK8B3464, DTXSID70459147, ANW-42562, MFCD11855971, AKOS015851354, ZINC169794641, FCH2840223, RTX-012091, OR361352, A-9161, 5-(methoxycarbonyl)pyrrole-2-boronic acid, pinacol ester, AldrichCPR, 2-[5-(Methoxycarbonyl)-1H-pyrrole-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, CID11218929, METHYL5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRROLE-2-CARBOXYLATE,

Complexity	329
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	251.133g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	251.089g/mol
Monoisotopic Mass	251.133g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	60.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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