AG007ES5

1072946-37-2 | 2,6-Dichloro-3-nitrophenylboronic acid

AG007ES5

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CAS Number	1072946-37-2
Catalog Number	AG007ES5(AGN-PC-0WA5ST)
Chemical Name	2,6-Dichloro-3-nitrophenylboronic acid
IUPAC Name	(2,6-dichloro-3-nitrophenyl)boronic acid
InChI	InChI=1S/C6H4BCl2NO4/c8-3-1-2-4(10(13)14)6(9)5(3)7(11)12/h1-2,11-12H
InChI Key	ZLBSACXTTUJLJN-UHFFFAOYSA-N
MDL Number	MFCD10699640
Molecular Formula	C6H4BCl2NO4
Molecular Weight	235.8173
SMILES	ClC1=C(C=CC(=C1B(O)O)Cl)[N+](=O)[O-]
Synonyms	1072946-37-2, 2,6-Dichloro-3-nitrophenylboronic acid, (2,6-Dichloro-3-nitrophenyl)boronic acid, ACMC-2098s0, CTK4A5252, DTXSID60674504, ANW-15646, MFCD10699640, AKOS015849928, ZINC169745647, CD-1884, FCH1401144, RTR-001579, BC001670, OR360107, (2,6-Dichloro-3-nitro-phenyl)boronic acid, AX8209669, TR-001579, FT-0697268, ST24026102, X1544, A-4568, I04-2453, BORONIC ACID, B-(2,6-DICHLORO-3-NITROPHENYL)-, C6H4BCl2NO4, ACN-034214,

Complexity	224
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	234.961g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	235.811g/mol
Monoisotopic Mass	234.961g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	86.3A^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

Lot Number