AG00A0PB

1396007-85-4 | 1-[4-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-cyclopropanecarboxylic acid methyl ester

AG00A0PB

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CAS Number	1396007-85-4
Catalog Number	AG00A0PB(AGN-PC-0WAKU9)
Chemical Name	1-[4-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-cyclopropanecarboxylic acid methyl ester
IUPAC Name	methyl 1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropane-1-carboxylate
InChI	InChI=1S/C17H23BO4/c1-15(2)16(3,4)22-18(21-15)13-8-6-12(7-9-13)17(10-11-17)14(19)20-5/h6-9H,10-11H2,1-5H3
InChI Key	XQQDYMOXTLWTIM-UHFFFAOYSA-N
MDL Number	MFCD18383383
Molecular Formula	C17H23BO4
Molecular Weight	302.1731
SMILES	CC1(OB(OC1(C)C)C1=CC=C(C=C1)C1(CC1)C(=O)OC)C
Synonyms	1396007-85-4, METHYL 1-(4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)CYCLOPROPANECARBOXYLATE, 1-[4-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-cyclopropanecarboxylic acid methyl ester, 1259022-88-2, 4-[(1-Methoxycarbonyl)cyclopropyl]phenylboronic acid pinacol ester, Methyl 1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropanecarboxylate, Methyl 1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)cyclopropane-1-carboxylate, methyl 1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropane-1-carboxylate, SCHEMBL14709101, XQQDYMOXTLWTIM-UHFFFAOYSA-N, CS-M3622, AKOS027427440, ZINC205561567, AB75489, SB18058, CS-13198, FT-0718462, 4-[[1-(METHOXYCARBONYL)CYCLOPROPYL]PHENYL]BORONIC ACID PINACOL ESTER, methyl 1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-phenyl)-cyclopropanecarboxylate, methyl 1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)cyclopropancarboxylate,

Complexity	432
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	302.169g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	302.177g/mol
Monoisotopic Mass	302.169g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	44.8A^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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