AG00IG2B

902757-07-7 | 4-chloro-3-trifluoromethoxyphenylboronic acid

AG00IG2B

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CAS Number	902757-07-7
Catalog Number	AG00IG2B(AGN-PC-0HEMGM)
Chemical Name	4-chloro-3-trifluoromethoxyphenylboronic acid
IUPAC Name	[4-chloro-3-(trifluoromethoxy)phenyl]boronic acid
InChI	InChI=1S/C7H5BClF3O3/c9-5-2-1-4(8(13)14)3-6(5)15-7(10,11)12/h1-3,13-14H
InChI Key	ZTIWEYMDQDWLHC-UHFFFAOYSA-N
MDL Number	MFCD11040273
Molecular Formula	C7H5BClF3O3
Molecular Weight	240.3720
SMILES	OB(C1=CC=C(Cl)C(OC(F)(F)F)=C1)O
Synonyms	902757-07-7, 4-chloro-3-(trifluoromethoxy)phenylboronic acid, (4-Chloro-3-(trifluoromethoxy)phenyl)boronic acid, [4-Chloro-3-(trifluoromethoxy)phenyl]boronic acid, Boronic acid, [4-chloro-3-(trifluoromethoxy)phenyl]-, SCHEMBL2409490, ZTIWEYMDQDWLHC-UHFFFAOYSA-N, MFCD11040273, AKOS027265183, ZINC203694103, 4Chloro3TrifluoromethoxyphenylboornicAcid, 4-Chloro-3-trifluoromethoxyphenylboronic acid, CS-0082117, 4-chloro-3-trifluoromethoxyphenyl boronic acid, BORONICACID,[4-CHLORO-3- PHENYL]-,

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
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number