AG00HB3I

1082066-29-2 | [2-fluoro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanol

AG00HB3I

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CAS Number	1082066-29-2
Catalog Number	AG00HB3I(AGN-PC-0WAM49)
Chemical Name	[2-fluoro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanol
IUPAC Name	[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanol
InChI	InChI=1S/C13H18BFO3/c1-12(2)13(3,4)18-14(17-12)10-6-5-9(8-16)11(15)7-10/h5-7,16H,8H2,1-4H3
InChI Key	WFGVQMPAZWWWDG-UHFFFAOYSA-N
MDL Number	MFCD18732617
Molecular Formula	C13H18BFO3
Molecular Weight	252.0896
SMILES	OCC1=CC=C(B2OC(C)(C)C(C)(C)O2)C=C1F
Synonyms	1082066-29-2, (2-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methanol, 3-Fluoro-4-(hydroxymethyl)phenylboronic Acid Pinacol Ester, SCHEMBL3321140, WFGVQMPAZWWWDG-UHFFFAOYSA-N, 4721AJ, MFCD18732617, AKOS022186950, ZINC170027386, DS-8629, FCH2751126, AK146701, SY029257, AX8284255, MFCD18732617 (95%), [2-fluoro-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-methanol, C13H18BFO3, [2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanol,

Complexity	293
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	252.133g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	252.092g/mol
Monoisotopic Mass	252.133g/mol
Rotatable Bond Count	2
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-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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