AG00C0C1

401797-00-0 | 3,4-Dimethylphenylboronic acid pinacol ester

AG00C0C1

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CAS Number	401797-00-0
Catalog Number	AG00C0C1(AGN-PC-0NL4Z1)
Chemical Name	3,4-Dimethylphenylboronic acid pinacol ester
IUPAC Name	2-(3,4-dimethylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
InChI	InChI=1S/C14H21BO2/c1-10-7-8-12(9-11(10)2)15-16-13(3,4)14(5,6)17-15/h7-9H,1-6H3
InChI Key	HWIMTTLCFONAAB-UHFFFAOYSA-N
MDL Number	MFCD12405519
Molecular Formula	C14H21BO2
Molecular Weight	232.1263
SMILES	CC1=C(C)C=C(C=C1)B1OC(C)(C)C(C)(C)O1
Synonyms	401797-00-0, 2-(3,4-DIMETHYLPHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE, 3,4-Dimethylphenylboronic acid pinacol ester, 3,4-Dimethylbenzeneboronic acid pinacol ester, 1,3,2-Dioxaborolane, 2-(3,4-dimethylphenyl)-4,4,5,5-tetramethyl-, (3,4-Dimethylphenyl)boronic acid pinacol ester, AMTB1118, SCHEMBL14217299, CTK1D0009, KS-00000QFI, DTXSID40579280, ANW-65924, CD-401, MFCD12405519, AKOS015842010, ZINC169935835, AS-3183, CS-W000925, AK-87355, TR-016041, 4CH-001205, D5085, FT-0751289, B-3330, 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-o-xylene, C14H21BO2, ACN-044166,

Complexity	272
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	232.163g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	232.13g/mol
Monoisotopic Mass	232.163g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	18.5A^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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