AG00948X

1184259-08-2 | 3-ForMyl-4-nitrophenyl boronicacid pinacol ester

AG00948X

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CAS Number	1184259-08-2
Catalog Number	AG00948X(AGN-PC-0CHY2L)
Chemical Name	3-ForMyl-4-nitrophenyl boronicacid pinacol ester
IUPAC Name	2-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde
InChI	InChI=1S/C13H16BNO5/c1-12(2)13(3,4)20-14(19-12)10-5-6-11(15(17)18)9(7-10)8-16/h5-8H,1-4H3
InChI Key	PQSNQQFRGFGLIV-UHFFFAOYSA-N
MDL Number	MFCD22493666
Molecular Formula	C13H16BNO5
Molecular Weight	277.0808
SMILES	O=CC1=CC(B2OC(C)(C)C(C)(C)O2)=CC=C1[N+]([O-])=O
Synonyms	1184259-08-2, 2-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde, SCHEMBL2933541, PQSNQQFRGFGLIV-UHFFFAOYSA-N, AKOS024262355, ZINC170008685, FCH2889568, AK158101, OR361236, AX8291999, K-1282, 3-ForMyl-4-nitrophenyl boronicacid pinacol ester, 3-Formyl-4-Nitrophenylboronic acid, pinacol ester, 2-nitro-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzaldehyde, 2-NITRO-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-BENZALDEHYDE,

Complexity	390
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	277.112g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	277.083g/mol
Monoisotopic Mass	277.112g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	81.4A^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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