AG00DADJ

503176-50-9 | 2-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde

AG00DADJ

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CAS Number	503176-50-9
Catalog Number	AG00DADJ(AGN-PC-09PZJI)
Chemical Name	2-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde
IUPAC Name	2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde
InChI	InChI=1S/C13H16BFO3/c1-12(2)13(3,4)18-14(17-12)10-6-5-9(8-16)11(15)7-10/h5-8H,1-4H3
InChI Key	IIFHCQXSBTZOCF-UHFFFAOYSA-N
MDL Number	MFCD16036135
Molecular Formula	C13H16BFO3
Molecular Weight	250.0737
SMILES	O=CC1=CC=C(B2OC(C)(C)C(C)(C)O2)C=C1F
Synonyms	503176-50-9, 2-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde, 3-Fluoro-4-formylphenylboronic acid pinacol ester, SCHEMBL16041705, CTK8C4846, DTXSID30682217, IIFHCQXSBTZOCF-UHFFFAOYSA-N, BCP21939, ANW-73339, MFCD16036135, AKOS016008605, ZINC169747317, FCH2822746, MB14813, AK-85455, DS-18083, PC412420, SY025299, AX8240976, TR-036897, CS-0029527, MFCD16036135 (95%), A-5730, 2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl)benzaldehyde, ACN-044246, 1823775-69-4,

Complexity	316
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	250.118g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	250.076g/mol
Monoisotopic Mass	250.118g/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	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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