AG00I916

503309-11-3 | Boronic acid, [2-fluoro-4-(trifluoromethyl)phenyl]-

AG00I916

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CAS Number	503309-11-3
Catalog Number	AG00I916(AGN-PC-00YV0B)
Chemical Name	Boronic acid, [2-fluoro-4-(trifluoromethyl)phenyl]-
IUPAC Name	[2-fluoro-4-(trifluoromethyl)phenyl]boronic acid
InChI	InChI=1S/C7H5BF4O2/c9-6-3-4(7(10,11)12)1-2-5(6)8(13)14/h1-3,13-14H
InChI Key	SSFSVKVWAURAAM-UHFFFAOYSA-N
MDL Number	MFCD03094995
Molecular Formula	C7H5BF4O2
Molecular Weight	207.9180
SMILES	OB(C1=CC=C(C(F)(F)F)C=C1F)O
Synonyms	2-fluoro-4-(trifluoromethyl)phenylboronic acid, 503309-11-3, 2-Fluoro-4-trifluoromethylphenylboronic acid, 2-fluoro-4-(trifluoromethyl)benzeneboronic acid, MFCD03094995, [2-fluoro-4-(trifluoromethyl)phenyl]boronic acid, Boronic acid, [2-fluoro-4-(trifluoromethyl)phenyl]-, (2-fluoro-4-(trifluoromethyl)phenyl)boronic acid, PubChem1859, ACMC-209klg, KSC269G4L, SCHEMBL582110, CTK1G9345, DTXSID90585932, 4-Borono-3-fluorobenzotrifluoride, SSFSVKVWAURAAM-UHFFFAOYSA-N, BM361, ZXBA000302, ACT11106, CS-D1023, ZX-AP003361, ANW-30962, CF-214, PC3007, SBB071055, AKOS004114071, ZINC169744958, AB13407, AC-1145, FCH1323685, LS10420, PS-9527, RP26370, RTR-017991, TRA0034697, VB10282, AK-27193, AM803968, AN-15237, BC200381, BR-27193, CC-10593, SC-04866, AB0010496, AB1004734, AX8004280, DB-010425, ST2416887, TL8003335, TR-017991, F0816, FT-0084842, FT-0644769, 2-Fluoro-4-trifluoromethyl-phenylboronic acid, 2-Fluoro-4-(trifluoromethyl)phenylboranic acid, 2-fluoro-4-trifluoromethyl phenyl boronic acid, A-5733, 309F113, C-10498, I01-1550, J-509393, Boronicacid, B-[2-fluoro-4-(trifluoromethyl)phenyl]-, 2-Fluoro-4-(trifluoromethyl)phenylboronic acid, AldrichCPR, C7H5BF4O2, 2-FLUORO-4- PHENYLBORONICACID, ACN-034240, 2-fluoro-4-trifluoromethphenylboronicacid, 2-Fluoro-4-(trifluoromethyl)benzeneboronic acid, 97% - 1G 1g,

Complexity	197
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	208.032g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	207.919g/mol
Monoisotopic Mass	208.032g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	40.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number