AG004TVD

871332-84-2 | 3-(Methoxy(methyl)aminocarbonyl)-5-nitrophenylboronic acid

AG004TVD

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CAS Number	871332-84-2
Catalog Number	AG004TVD(AGN-PC-0VB2H8)
Chemical Name	3-(Methoxy(methyl)aminocarbonyl)-5-nitrophenylboronic acid
IUPAC Name	[3-[methoxy(methyl)carbamoyl]-5-nitrophenyl]boronic acid
InChI	InChI=1S/C9H11BN2O6/c1-11(18-2)9(13)6-3-7(10(14)15)5-8(4-6)12(16)17/h3-5,14-15H,1-2H3
InChI Key	RJGIEMNJBJFOMQ-UHFFFAOYSA-N
MDL Number	MFCD07783876
Molecular Formula	C9H11BN2O6
Molecular Weight	254.0044
SMILES	OB(C1=CC([N+]([O-])=O)=CC(C(N(OC)C)=O)=C1)O
Synonyms	871332-84-2, 3-[methoxy(methyl)carbamoyl]-5-nitrophenylboronic acid, 3-(Methoxy(methyl)aminocarbonyl)-5-nitrophenylboronic acid, 3-[(N-Methoxy-N-methylamino)carbonyl]-5-nitrobenzeneboronic acid, Boronic acid,B-[3-[(methoxymethylamino)carbonyl]-5-nitrophenyl]-, 3-(methoxy(methyl)carbamoyl)-5-nitrophenylboronic acid, ACMC-209qhe, C9H11BN2O6, CTK5F7954, DTXSID20657439, ZX-AT010064, ANW-38592, MFCD07783876, OR9425, AKOS015852595, ZINC169745423, RTR-027256, VB10603, CC-13888, DB-022147, TR-027256, FT-0644987, V8375, B-4304, A842003, C-15712, I04-2704, {3-[methoxy(methyl)carbamoyl]-5-nitrophenyl}boronic acid, [3-[methoxy(methyl)carbamoyl]-5-nitro-phenyl]boronic acid, [3-[[methoxy(methyl)amino]-oxomethyl]-5-nitrophenyl]boronic acid, ACN-032602, 3-[METHOXY CARBAMOYL]-5-NITROPHENYLBORONICACID,

Complexity	321
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	254.071g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	254.005g/mol
Monoisotopic Mass	254.071g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	116A^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-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362-P403+P233-P501
UN Code

Certificate of Analysis

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