AG006BMR

957065-97-3 | 4-Methoxycarbonyl-2-nitrophenylboronic acid, pinacol ester

AG006BMR

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CAS Number	957065-97-3
Catalog Number	AG006BMR(AGN-PC-07XTR3)
Chemical Name	4-Methoxycarbonyl-2-nitrophenylboronic acid, pinacol ester
IUPAC Name	methyl 3-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
InChI	InChI=1S/C14H18BNO6/c1-13(2)14(3,4)22-15(21-13)10-7-6-9(12(17)20-5)8-11(10)16(18)19/h6-8H,1-5H3
InChI Key	WRGJIRHQRSVMFP-UHFFFAOYSA-N
MDL Number	MFCD09878423
Molecular Formula	C14H18BNO6
Molecular Weight	307.1068
SMILES	O=C(OC)C1=CC=C(B2OC(C)(C)C(C)(C)O2)C([N+]([O-])=O)=C1
Synonyms	957065-97-3, 4-Methoxycarbonyl-2-nitrophenylboronic acid, pinacol ester, Methyl 3-nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate, CTK8B3465, DTXSID40674320, ANW-42563, MFCD09878423, AKOS022177758, ZINC169903586, CM-2079, RTR-029983, OR361350, TR-029983, FT-0083812, FT-0660075, B-5257, Methyl3-nitro-4- benzoate, 4-Methoxycarbonyl-2-nitrophenylboronic acid pinacol ester, 4-Methoxycarbonyl-2-nitrophenylboronic acid,pinacol ester,

Complexity	445
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	307.123g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	307.109g/mol
Monoisotopic Mass	307.123g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	90.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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