AG009YID

1334173-89-5 | 4-((Dimethylamino)methyl)-3-fluorophenylboronic acid

AG009YID

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CAS Number	1334173-89-5
Catalog Number	AG009YID(AGN-PC-0WCRLD)
Chemical Name	4-((Dimethylamino)methyl)-3-fluorophenylboronic acid
IUPAC Name	[4-[(dimethylamino)methyl]-3-fluorophenyl]boronic acid
InChI	InChI=1S/C9H13BFNO2/c1-12(2)6-7-3-4-8(10(13)14)5-9(7)11/h3-5,13-14H,6H2,1-2H3
InChI Key	BZGKUSJVFIQRST-UHFFFAOYSA-N
MDL Number	MFCD14687171
Molecular Formula	C9H13BFNO2
Molecular Weight	197.0144
SMILES	OB(C1=CC=C(CN(C)C)C(F)=C1)O
Synonyms	1334173-89-5, 4-((dimethylamino)methyl)-3-fluorophenylboronic acid, 4-((DIMETHYLAMINO)METHYL)-3-FLUOROPHENYL BORONIC ACID, (4-((dimethylamino)methyl)-3-fluorophenyl)boronic acid, MFCD14687171, AKOS010796249, ZINC169981489, AM86531, AS-49576,

Complexity	180
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	197.102g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	197.016g/mol
Monoisotopic Mass	197.102g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	43.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317-H319
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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