AG008UC5

1185836-98-9 | 2-Cyclopropylmethoxyphenylboronic acid pinacol ester

AG008UC5

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CAS Number	1185836-98-9
Catalog Number	AG008UC5(AGN-PC-0WA6LG)
Chemical Name	2-Cyclopropylmethoxyphenylboronic acid pinacol ester
IUPAC Name	2-[2-(cyclopropylmethoxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
InChI	InChI=1S/C16H23BO3/c1-15(2)16(3,4)20-17(19-15)13-7-5-6-8-14(13)18-11-12-9-10-12/h5-8,12H,9-11H2,1-4H3
InChI Key	VQJIGAHQIKKQPK-UHFFFAOYSA-N
MDL Number	MFCD13152006
Molecular Formula	C16H23BO3
Molecular Weight	274.1630
SMILES	CC1(C(C)(C)OB(C2=C(OCC3CC3)C=CC=C2)O1)C
Synonyms	1185836-98-9, 2-Cyclopropylmethoxyphenylboronic acid pinacol ester, 2-(2-(Cyclopropylmethoxy)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, 2-[2-(cyclopropylmethoxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, 2-Cyclopropylmethoxyphenylboronicacid pinacol ester, 2-(2-Cyclopropylmethoxyphenyl)-4,4,5,5-tetramethyl[1,3,2]dioxaborolane, SCHEMBL986207, DTXSID40718758, VQJIGAHQIKKQPK-UHFFFAOYSA-N, 0572AD, AKOS015950442, ZINC169822428, RP07887, FT-0685809, J-509266, 2-Cyclopropylmethoxyphenylboronic acid pinacol ester, AldrichCPR, 2-(2-cyclopropylmethoxy-phenyl)-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane, C16H23BO3,

Complexity	336
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	274.174g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	274.167g/mol
Monoisotopic Mass	274.174g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	27.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H319-H412
Packing Group	\N
Precautionary statements	P273-P305+P351+P338
Signal Words	warning
UN Code	\N

Certificate of Analysis

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