AG00085Y

1027045-31-3 | Boronic acid, B-(4-chloro-2,6-dimethylphenyl)-

AG00085Y

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CAS Number	1027045-31-3
Catalog Number	AG00085Y(AGN-PC-0WA5TG)
Chemical Name	Boronic acid, B-(4-chloro-2,6-dimethylphenyl)-
IUPAC Name	(4-chloro-2,6-dimethylphenyl)boronic acid
InChI	InChI=1S/C8H10BClO2/c1-5-3-7(10)4-6(2)8(5)9(11)12/h3-4,11-12H,1-2H3
InChI Key	FVASMUNXBUYNIX-UHFFFAOYSA-N
MDL Number	MFCD10566594
Molecular Formula	C8H10BClO2
Molecular Weight	184.4278
SMILES	c1c(cc(c(c1C)B(O)O)C)Cl
Synonyms	1027045-31-3, (4-Chloro-2,6-dimethylphenyl)boronic acid, 2,6-DIMETHYL-4-CHLOROPHENYLBORONIC ACID, ACMC-20982o, SCHEMBL2147169, CTK4A1413, DTXSID50681868, FVASMUNXBUYNIX-UHFFFAOYSA-N, ANW-14734, FCH881097, MFCD10566594, AKOS006304320, ZINC169748014, 4-chloro-2,6-dimethylphenylboronic acid, AK-84700, OR360495, AX8235996, TR-033850, FT-0697194, ST24034647, X1499, A-4205, Boronic acid, B-(4-chloro-2,6-dimethylphenyl)-, I04-2396, C8H10BClO2, ACN-034213, (4-Chloro-2,6-dimethylphenyl)boronicacid,

Complexity	142
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	184.046g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	184.426g/mol
Monoisotopic Mass	184.046g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	40.5A^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