AG004SHZ

850568-46-6 | (4-Cyano-2-nitrophenyl)boronic acid

AG004SHZ

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CAS Number	850568-46-6
Catalog Number	AG004SHZ(AGN-PC-0UX3L7)
Chemical Name	(4-Cyano-2-nitrophenyl)boronic acid
IUPAC Name	(4-cyano-2-nitrophenyl)boronic acid
InChI	InChI=1S/C7H5BN2O4/c9-4-5-1-2-6(8(11)12)7(3-5)10(13)14/h1-3,11-12H
InChI Key	YDIOTBNYNPBRFF-UHFFFAOYSA-N
MDL Number	MFCD04115646
Molecular Formula	C7H5BN2O4
Molecular Weight	191.9366
SMILES	c1c(cc(c(c1)B(O)O)[N+](=O)[O-])C#N
Synonyms	(4-cyano-2-nitrophenyl)boronic acid, 850568-46-6, 4-Cyano-2-nitrophenylboronic acid, Boronic acid,B-(4-cyano-2-nitrophenyl)-, (4-cyano-2-nitro-phenyl)boronic Acid, AC1MZD4H, ACMC-209q21, CTK5F3966, DTXSID40397643, 4-Cyano-2-nitrobenzeneboronic acid, ZX-AT009977, ANW-38039, CC-962, FCH918959, MFCD04115646, AKOS006227830, ZINC169745334, AB20322, OR13165, RTR-026508, VB10467, AK-44935, BC001987, CC-00678, (4-CYANO-2-NITROPHENYL)BORONICACID, DB-015874, TR-026508, FT-0083808, FT-0644939, ST24034674, V1924, (4-NITRILE-2-NITROPHENYL)BORONIC ACID, B-3971, A841119, C-08317, I04-1852, BORONICACID, C7H5BN2O4, CID3870635,

Complexity	269
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	192.034g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	191.937g/mol
Monoisotopic Mass	192.034g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	110A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H301-H315-H319-H335
Packing Group
Precautionary statements	P261-P280a-P301+P310a-P305+P351+P338-P405-P501a
UN Code	\N

Certificate of Analysis

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