AG00ABR2

172512-93-5 | 4-Cyano-trans-beta-styrylboronic acid pinacol ester

AG00ABR2

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CAS Number	172512-93-5
Catalog Number	AG00ABR2(AGN-PC-0WAI10)
Chemical Name	4-Cyano-trans-beta-styrylboronic acid pinacol ester
IUPAC Name	4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]benzonitrile
InChI	InChI=1S/C15H18BNO2/c1-14(2)15(3,4)19-16(18-14)10-9-12-5-7-13(11-17)8-6-12/h5-10H,1-4H3/b10-9+
InChI Key	PTVXZOZMWVSOOR-MDZDMXLPSA-N
MDL Number	MFCD19703873
Molecular Formula	C15H18BNO2
Molecular Weight	255.1199
SMILES	N#CC1=CC=C(C=C1)/C=C/B(OC2(C)C)OC2(C)C
Synonyms	172512-93-5, (E)-4-(2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)vinyl)benzonitrile, 4-Cyano-trans-beta-styrylboronic acid pinacol ester, AK-47939, DTXSID40455510, BCP15850, CS-B1124, 8882AA, MFCD19703873, AKOS016006008, ZINC169747219, FCH2792624, FCH4067891, 4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]benzonitrile, BBV-77571532, DS-14546, AX8212083, ST2402521, (E)-4-Cyano-styrylboronic acid pinacol ester, 2-[(E)-4-Cyanostyryl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, C15H18BNO2, PTVXZOZMWVSOOR-MDZDMXLPSA-N, CID11107916, 4-Cyano-trans-beta-styrylboronicacidpinacolester,

Complexity	384
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	255.143g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	255.124g/mol
Monoisotopic Mass	255.143g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	42.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

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