AG00074U

1022922-16-2 | Boronic acid, B-[2-chloro-5-(trifluoromethoxy)phenyl]-

AG00074U

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CAS Number	1022922-16-2
Catalog Number	AG00074U(AGN-PC-0KKPDW)
Chemical Name	Boronic acid, B-[2-chloro-5-(trifluoromethoxy)phenyl]-
IUPAC Name	[2-chloro-5-(trifluoromethoxy)phenyl]boronic acid
InChI	InChI=1S/C7H5BClF3O3/c9-6-2-1-4(15-7(10,11)12)3-5(6)8(13)14/h1-3,13-14H
InChI Key	BAEHYECKXGVYKR-UHFFFAOYSA-N
MDL Number	MFCD06656267
Molecular Formula	C7H5BClF3O3
Molecular Weight	240.3720
SMILES	FC(F)(F)OC1=CC=C(Cl)C(B(O)O)=C1
Synonyms	1022922-16-2, 2-Chloro-5-(trifluoromethoxy)phenylboronic acid, (2-Chloro-5-(trifluoromethoxy)phenyl)boronic acid, 2-Chloro-5-trifluoromethoxyphenylboronic acid, [2-chloro-5-(trifluoromethoxy)phenyl]boronic Acid, MFCD06656267, 2-Chloro-5-(trifluoromethoxy)benzeneboronic acid, Boronic acid, B-[2-chloro-5-(trifluoromethoxy)phenyl]-, PubChem23778, ACMC-1C1LL, KSC500S0D, AC1MC802, SCHEMBL3993839, CTK4A0901, KS-00000NAW, DTXSID40376832, BAEHYECKXGVYKR-UHFFFAOYSA-N, BM581, ZXBA000448, ACT11072, ZX-AP002023, ANW-14685, PC2997, SBB099305, AKOS015855984, ZINC169744817, DS-1538, LS11320, RP08971, RTC-068606, AK-40402, AM808023, BR-40402, SC-70270, SY033606, AB0011375, AX8008026, DB-010378, ST2414170, TC-068606, 4CH-015360, CS-0029535, FT-0678849, X8603, MFCD06656267 (97%), C-1671, 922C162, I04-2498, J-508792, (2-CHLORO-5-(TRIFLUOROMETHOXY)PHENYL)BORONICACID, 2-Chloro-5-trifluoromethoxyphenylboronic acid, AldrichCPR, C7H5BClF3O2, C7H5BClF3O3, cc-648, ACN-032583, CID2763238, 2-Chloro-5-(trifluoromethyl)phenylboronic acid, 2-chloro-5-(trifluoromethoxy)phenylboronic acid, 98% - 1G 1g, 182344-18-9,

Complexity	214
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	239.997g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	240.369g/mol
Monoisotopic Mass	239.997g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	49.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H317-H319
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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