AG004W5W

833486-94-5 | 2-Nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

AG004W5W

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CAS Number	833486-94-5
Catalog Number	AG004W5W(AGN-PC-00UQPZ)
Chemical Name	2-Nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
IUPAC Name	2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
InChI	InChI=1S/C12H17BN2O4/c1-11(2)12(3,4)19-13(18-11)8-5-6-9(14)10(7-8)15(16)17/h5-7H,14H2,1-4H3
InChI Key	QOYJKGGBFKVKDP-UHFFFAOYSA-N
MDL Number	MFCD06795680
Molecular Formula	C12H17BN2O4
Molecular Weight	264.0854
SMILES	NC1=CC=C(B2OC(C)(C)C(C)(C)O2)C=C1[N+]([O-])=O
Synonyms	833486-94-5, 4-Amino-3-nitrophenylboronic acid pinacol ester, 2-Nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline, 4-Amino-3-nitrophenylboronic acid pinacol ester, 97%, 2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenamine, BENZENAMINE, 2-NITRO-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-, 4-AMINO-3-NITROPHENYLBORONIC ACID, PINACOL ESTER, PubChem22339, ACMC-209ps0, KSC912G7T, SCHEMBL190588, CTK8B2379, DTXSID50584648, QOYJKGGBFKVKDP-UHFFFAOYSA-N, BM368, ZXBA000306, ANW-37678, MFCD06795680, AKOS015854769, AKOS015894334, ZINC169743561, AB29242, CA-2156, FCH2811803, RTR-025956, VB10669, KS-000011F6, AS-46737, CC-17805, OR360654, SC-70374, SY041448, AX8014169, TR-025956, FT-0644891, N0824, MFCD06795680 (97%), A-3754, A22794, C-16508, I04-9464, 2-(3-Nitro-4-aminophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, 2-(4-Amino-3-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, 2-Nitro-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenylamine, Benzenamine,2-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, ACN-044279, 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-2-nitrobenzenamine,

Complexity	353
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	264.128g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	264.088g/mol
Monoisotopic Mass	264.128g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	90.3A^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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