AG001GUT

1416721-24-8 | 2-(tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)benzaldehyde

AG001GUT

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CAS Number	1416721-24-8
Catalog Number	AG001GUT(AGN-PC-0WANI0)
Chemical Name	2-(tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)benzaldehyde
IUPAC Name	2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)benzaldehyde
InChI	InChI=1S/C14H16BF3O3/c1-12(2)13(3,4)21-15(20-12)11-7-10(14(16,17)18)6-5-9(11)8-19/h5-8H,1-4H3
InChI Key	SXGHUSPRZSUDTF-UHFFFAOYSA-N
MDL Number	MFCD18757662
Molecular Formula	C14H16BF3O3
Molecular Weight	300.0812
SMILES	O=CC1=CC=C(C(F)(F)F)C=C1B2OC(C)(C)C(C)(C)O2
Synonyms	1416721-24-8, 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)benzaldehyde, AK165124, KS-00000SU0, MFCD18757662, AKOS025147248, ZINC208396051, DS-8932, Q-7324, (2-FORMYL-5-(TRIFLUOROMETHYL)PHENYL)BORONIC ACID PINACOL ESTER, 2-(tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)benzaldehyde, 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolane-2-yl)-4-(trifluoromethyl)benzaldehyde, Benzaldehyde, 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)-, 2-Formyl-5-(trifluoromethyl)phenylboronic acid pinacol ester,

Complexity	393
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	300.114g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	300.084g/mol
Monoisotopic Mass	300.114g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	35.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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