AG007T7L

1072944-24-1 | (4-Formyl-3-(trifluoromethyl)phenyl)boronic acid

AG007T7L

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CAS Number	1072944-24-1
Catalog Number	AG007T7L(AGN-PC-0WAAG6)
Chemical Name	(4-Formyl-3-(trifluoromethyl)phenyl)boronic acid
IUPAC Name	[4-formyl-3-(trifluoromethyl)phenyl]boronic acid
InChI	InChI=1S/C8H6BF3O3/c10-8(11,12)7-3-6(9(14)15)2-1-5(7)4-13/h1-4,14-15H
InChI Key	OQDHNEKEJVPVDS-UHFFFAOYSA-N
MDL Number	MFCD09037498
Molecular Formula	C8H6BF3O3
Molecular Weight	217.9376
SMILES	OB(O)C1=CC(=C(C=O)C=C1)C(F)(F)F
Synonyms	1072944-24-1, (4-Formyl-3-(trifluoromethyl)phenyl)boronic acid, 4-Formyl-3-(trifluoromethyl)phenylboronic acid, 4-Formyl-3-(trifluoromethyl)benzeneboronic acid, 4-Borono-2-(trifluoromethyl)benzaldehyde, 5-Borono-2-formylbenzotrifluoride, MFCD09037498, [4-formyl-3-(trifluoromethyl)phenyl]boronic acid, 3-(TRIFLUOROMETHYL)-4-FORMYLPHENYLBORONIC ACID, ACMC-2098oi, SCHEMBL3716724, CHEMBL3236891, CTK4A5132, DTXSID60660644, OQDHNEKEJVPVDS-UHFFFAOYSA-N, ZX-AP010427, ANW-15520, AKOS015837506, ZINC169744882, PC49100, RTR-001429, BC001918, AX8236006, TR-001429, ST24034706, X1304, A-4437, I04-6464, C8H6BF3O3, (4-Formyl-3-(trifluoromethyl)phenyl)boronicacid,

Complexity	232
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	218.036g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	217.938g/mol
Monoisotopic Mass	218.036g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	57.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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