AG000VE3

1310383-91-5 | Boronic acid, B-[3-formyl-4-(trifluoromethoxy)phenyl]-

AG000VE3

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CAS Number	1310383-91-5
Catalog Number	AG000VE3(AGN-PC-0WA8O2)
Chemical Name	Boronic acid, B-[3-formyl-4-(trifluoromethoxy)phenyl]-
IUPAC Name	[3-formyl-4-(trifluoromethoxy)phenyl]boronic acid
InChI	InChI=1S/C8H6BF3O4/c10-8(11,12)16-7-2-1-6(9(14)15)3-5(7)4-13/h1-4,14-15H
InChI Key	NMDBNGRHYCPTCY-UHFFFAOYSA-N
MDL Number	MFCD11617264
Molecular Formula	C8H6BF3O4
Molecular Weight	233.9370
SMILES	FC(F)(F)OC1=CC=C(B(O)O)C=C1C=O
Synonyms	1310383-91-5, 3-FORMYL-4-(TRIFLUOROMETHOXY)PHENYLBORONIC ACID, (3-Formyl-4-(trifluoromethoxy)phenyl)boronic acid, 3-FORMYL-4-(TRIFLUOROMETHOXY)PHENYBORONIC ACID, [3-formyl-4-(trifluoromethoxy)phenyl]boronic acid, ACMC-209bk5, CTK8B0061, DTXSID00675338, ANW-19251, MFCD11617264, AKOS022181600, ZINC169794597, QC-9977, AK-62316, AS-46815, BC001734, PC412065, AB0042196, TC-107996, CS-0084708, Z0061, B-7083, Boronic acid, B-[3-formyl-4-(trifluoromethoxy)phenyl]-, 3-formyl-4-(trifluoromethoxy)phenyboronic acid, AldrichCPR, C8H6BF3O4,

Complexity	246
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	234.031g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	233.937g/mol
Monoisotopic Mass	234.031g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	66.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301
Packing Group	Ⅲ
Precautionary statements	P301+P310
UN Code	UN 2811

Certificate of Analysis

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