AG00D9PF

481681-02-1 | 4-Fluoro-3-(hydroxymethyl)benzeneboronic acid

AG00D9PF

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CAS Number	481681-02-1
Catalog Number	AG00D9PF(AGN-PC-03GVRI)
Chemical Name	4-Fluoro-3-(hydroxymethyl)benzeneboronic acid
IUPAC Name	[4-fluoro-3-(hydroxymethyl)phenyl]boronic acid
InChI	InChI=1S/C7H8BFO3/c9-7-2-1-6(8(11)12)3-5(7)4-10/h1-3,10-12H,4H2
InChI Key	PWMOQHMTXJYUGE-UHFFFAOYSA-N
MDL Number	MFCD08235075
Molecular Formula	C7H8BFO3
Molecular Weight	169.9460
SMILES	OCC1=CC(B(O)O)=CC=C1F
Synonyms	481681-02-1, [4-Fluoro-3-(Hydroxymethyl)Phenyl]Boronic Acid, 4-FLUORO-3-(HYDROXYMETHYL)BENZENEBORONIC ACID, 4-FLUORO-3-(HYDROXYMETHYL)PHENYLBORONIC ACID, 4-fluoro-3-hydroxymethylphenylboronic acid, MFCD08235075, AK-35297, (4-fluoro-3-(hydroxymethyl)phenyl)boronic acid, Boronic acid, [4-fluoro-3-(hydroxymethyl)phenyl]-, PubChem23767, ACMC-209kcj, AC1Q7BXN, KSC496E1T, SCHEMBL1019278, CTK3J6219, KS-00000LOW, DTXSID60619071, PWMOQHMTXJYUGE-UHFFFAOYSA-N, ACT10995, ZX-AP006884, ZX-CM007422, ANW-30641, CF-564, FCH919681, PC5081, SBB088349, AKOS006222936, ZINC169745341, PS-9780, RTR-017674, VB10686, ACM481681021, BC001202, BR-35297, CC-01656, SC-47466, AB0029138, AX8004902, DB-005578, ST2420044, TR-017674, F1090, FT-0084686, FT-0602723, X1270, 4-Fluoro-3-(hydroxymethyl)phenyl]boronic acid, 4-Fluoro-3-hydroxymethyl benzene boronic acid, 4-fluoro-3-hydroxymethyl-benzene-boronic acid, 4-Fluoro-3-(hydroxymethyl)benzene boronic acid, B-2490, [4-fluoranyl-3-(hydroxymethyl)phenyl]boronic acid, A827492, C-05207, Boronic acid,B-[4-fluoro-3-(hydroxymethyl)phenyl]-, 4-Fluoro-3-(hydroxymethyl)phenylboronic Acid (contains varying amounts of Anhydride), C7H8BFO3, 4-FLUORO-3- BENZENEBORONICACID, ACN-032651, 3-(Hydroxymethyl)-4-methylphenylboronic acid, 1451391-54-0,

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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