AG007V5J

1082066-52-1 | 3-fluoro-4-(hydroxyMethyl)phenylboronic acid

AG007V5J

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CAS Number	1082066-52-1
Catalog Number	AG007V5J(AGN-PC-0BULBG)
Chemical Name	3-fluoro-4-(hydroxyMethyl)phenylboronic acid
IUPAC Name	[3-fluoro-4-(hydroxymethyl)phenyl]boronic acid
InChI	InChI=1S/C7H8BFO3/c9-7-3-6(8(11)12)2-1-5(7)4-10/h1-3,10-12H,4H2
InChI Key	ZAGFMKDDCAZZOI-UHFFFAOYSA-N
MDL Number	MFCD13181609
Molecular Formula	C7H8BFO3
Molecular Weight	169.9460
SMILES	OCC1=C(F)C=C(C=C1)B(O)O
Synonyms	(3-Fluoro-4-(hydroxymethyl)phenyl)boronic acid, 1082066-52-1, 3-Fluoro-4-(hydroxymethyl)phenylboronic acid, 3-Fluoro-4-hydroxymethylbenzeneboronic acid, [3-fluoro-4-(hydroxymethyl)phenyl]boronic acid, AK-61438, SCHEMBL15738778, CTK8C2680, DTXSID10726921, ZAGFMKDDCAZZOI-UHFFFAOYSA-N, KS-00000P4R, ANW-68826, MFCD13181609, AKOS016005720, ZINC169745917, AM80881, FCH1138753, BC001725, DS-14773, PC448015, SC-97178, SY029243, 3-fluoro-4-hydroxymethyl-phenylboronic acid, AX8217987, TC-157571, 4CH-010874, CS-0029534, ST24020400, Y3638, MFCD13181609 (95%), Q-8979, (3-fluoro-4-(hydroxyMethyl)phenyl) boronic acid, Boronic acid, B-[3-fluoro-4-(hydroxymethyl)phenyl]-, C7H8BFO3, ACN-032610, (3-FLUORO-4-(HYDROXYMETHYL)PHENYL)BORONICACID,

Complexity	145
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	170.055g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	169.946g/mol
Monoisotopic Mass	170.055g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	60.7A^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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