AG005X0F

958451-91-7 | 5-Trifluoromethyl-thiophene-2-boronic acid

AG005X0F

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CAS Number	958451-91-7
Catalog Number	AG005X0F(AGN-PC-07B79A)
Chemical Name	5-Trifluoromethyl-thiophene-2-boronic acid
IUPAC Name	[5-(trifluoromethyl)thiophen-2-yl]boronic acid
InChI	InChI=1S/C5H4BF3O2S/c7-5(8,9)3-1-2-4(12-3)6(10)11/h1-2,10-11H
InChI Key	NHBZQJOZVBHDAZ-UHFFFAOYSA-N
MDL Number	MFCD11042442
Molecular Formula	C5H4BF3O2S
Molecular Weight	195.9553
SMILES	FC(C1=CC=C(B(O)O)S1)(F)F
Synonyms	958451-91-7, 5-Trifluoromethyl-thiophene-2-boronic acid, 5-(trifluoromethyl)thiophen-2-ylboronic acid, (5-(trifluoromethyl)thiophen-2-yl)boronic acid, [5-(Trifluoromethyl)thiophen-2-yl]boronic acid, 5-(Trifluoromethyl)-2-thiopheneboronic acid, SCHEMBL12538574, CTK5H8221, DTXSID60669692, NHBZQJOZVBHDAZ-UHFFFAOYSA-N, MFCD11042442, AKOS006308339, ZINC169807956, BS-13715, AB0076124, CS-0077376, Boronic acid, B-[5-(trifluoromethyl)-2-thienyl]-, 5-Trifluoromethyl-thiophene-2-boronicacid, 5-(Trifluoromethyl)thiophene-2-boronic acid,

Complexity	163
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	195.998g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	195.95g/mol
Monoisotopic Mass	195.998g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	68.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number