AG007NS1

24341-76-2 | 3,5-Dinitro-2-methylphenylboronic acid

AG007NS1

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CAS Number	24341-76-2
Catalog Number	AG007NS1(AGN-PC-0L9OY0)
Chemical Name	3,5-Dinitro-2-methylphenylboronic acid
IUPAC Name	(2-methyl-3,5-dinitrophenyl)boronic acid
InChI	InChI=1S/C7H7BN2O6/c1-4-6(8(11)12)2-5(9(13)14)3-7(4)10(15)16/h2-3,11-12H,1H3
InChI Key	ZESXGHPFWNSQQV-UHFFFAOYSA-N
MDL Number	MFCD00757434
Molecular Formula	C7H7BN2O6
Molecular Weight	225.9513
SMILES	CC1=C(C=C(C=C1[N+]([O-])=O)[N+]([O-])=O)B(O)O
Synonyms	24341-76-2, 3,5-Dinitro-2-methylphenylboronic acid, (3,5-DINITRO-2-METHYLPHENYL)BORONIC ACID, (2-methyl-3,5-dinitrophenyl)boronic acid, 2-Borono-4,6-dinitrotoluene, Boronicacid, B-(2-methyl-3,5-dinitrophenyl)-, 3,5-Dinitro-2-methylbenzeneboronic acid, MFCD00757434, 2-methyl-3,5-dinitrophenylboronic acid, ACMC-1CEER, (2-methyl-3,5-dinitro-phenyl)boronic Acid, C7H7BN2O6, AC1N91H0, SCHEMBL4259644, CTK1A1265, DTXSID10402278, ZX-AT003327, ANW-25404, AKOS015833362, ZINC169745437, AB07034, CD-1889, OR13110, PS-9589, RL02779, VB10436, ACM24341762, BC001177, CC-00512, AX8010484, DB-015863, TR-011234, FT-0638414, ST24034230, X0645, Boronicacid,b-(2-methyl-3,5-dinitrophenyl)-, B-8064, A817239, C-12812, I04-1706, J-511371, CID4353496,

Complexity	288
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	226.04g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	225.951g/mol
Monoisotopic Mass	226.04g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	132A^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-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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