AG0016N4

1220219-36-2 | Cyclopropanemethanol, 1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-

AG0016N4

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CAS Number	1220219-36-2
Catalog Number	AG0016N4(AGN-PC-0CZBNY)
Chemical Name	Cyclopropanemethanol, 1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-
IUPAC Name	[1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropyl]methanol
InChI	InChI=1S/C16H23BO3/c1-14(2)15(3,4)20-17(19-14)13-7-5-12(6-8-13)16(11-18)9-10-16/h5-8,18H,9-11H2,1-4H3
InChI Key	WLKBNPVGNWGUSP-UHFFFAOYSA-N
MDL Number	MFCD18383801
Molecular Formula	C16H23BO3
Molecular Weight	274.1630
SMILES	OCC1(C2=CC=C(B3OC(C)(C)C(C)(C)O3)C=C2)CC1
Synonyms	1220219-36-2, (1-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)cyclopropyl)methanol, [1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropyl]methanol, WLKBNPVGNWGUSP-UHFFFAOYSA-N, SCHEMBL12327234, MFCD18383801, AKOS022186693, ZINC170027274, CS-W007283, DS-8503, AK146339, (1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)cyclopropyl)-methanol, Cyclopropanemethanol, 1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-,

Complexity	352
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	1
Isotope Atom Count	0
Molecular Weight	274.167g/mol
Monoisotopic Mass	274.174g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	38.7A^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	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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