AG003JVB

329685-40-7 | 3-Phenyl-1-propylboronic acid pinacol ester

AG003JVB

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CAS Number	329685-40-7
Catalog Number	AG003JVB(AGN-PC-00PWR8)
Chemical Name	3-Phenyl-1-propylboronic acid pinacol ester
IUPAC Name	4,4,5,5-tetramethyl-2-(3-phenylpropyl)-1,3,2-dioxaborolane
InChI	InChI=1S/C15H23BO2/c1-14(2)15(3,4)18-16(17-14)12-8-11-13-9-6-5-7-10-13/h5-7,9-10H,8,11-12H2,1-4H3
InChI Key	HRZOKAQQKKQUME-UHFFFAOYSA-N
MDL Number	MFCD09953505
Molecular Formula	C15H23BO2
Molecular Weight	246.1529
SMILES	CC1(C)C(C)(C)OB(CCCC2=CC=CC=C2)O1
Synonyms	329685-40-7, 4,4,5,5-tetramethyl-2-(3-phenylpropyl)-1,3,2-dioxaborolane, 3-PHENYL-1-PROPYLBORONIC ACID PINACOL ESTER, (3-Phenylpropyl)boronic Acid Pinacol Ester, MFCD09953505, SCHEMBL15924059, CTK8B3158, DTXSID20575609, ANW-41858, AKOS015995047, ZINC169746007, RP28736, RTR-013823, ACM329685407, CS-12311, OR361528, SY046179, AX8261396, TR-013823, FT-0699343, X1281, MFCD09953505 (97%), A-9144, 3-Phenyl-1-propylboronic acid pinacol ester, 97%, J-018953, J-513976, 2-(3-Phenylpropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, C15H23BO2, CID15605871,

Complexity	254
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	246.179g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	246.157g/mol
Monoisotopic Mass	246.179g/mol
Rotatable Bond Count	4
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

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