AG002BDP

198211-79-9 | Boronic acid, B-​(2-​methoxy-​4-​methylphenyl)​-

AG002BDP

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CAS Number	198211-79-9
Catalog Number	AG002BDP(AGN-PC-01VPGG)
Chemical Name	Boronic acid, B-​(2-​methoxy-​4-​methylphenyl)​-
IUPAC Name	(2-methoxy-4-methylphenyl)boronic acid
InChI	InChI=1S/C8H11BO3/c1-6-3-4-7(9(10)11)8(5-6)12-2/h3-5,10-11H,1-2H3
InChI Key	LWNWZQJRSFHZRG-UHFFFAOYSA-N
MDL Number	MFCD18072608
Molecular Formula	C8H11BO3
Molecular Weight	165.9821
SMILES	O(C)c1c(B(O)O)ccc(c1)C
Synonyms	(2-Methoxy-4-methylphenyl)boronic acid, 198211-79-9, 2-METHOXY-4-METHYLPHENYLBORONIC ACID, SCHEMBL1228414, CTK0E0626, DTXSID80593561, LWNWZQJRSFHZRG-UHFFFAOYSA-N, MFCD18072608, 4-methyl-2-methoxylphenylboronic acid, AKOS016842752, ZINC169748102, (2-methoxy 4-methyl phenyl)boronic acid, Boronic acid, (2-methoxy-4-methylphenyl)-, DB-010459, FT-0766272, ST24033936, Z0335, Boronic acid, B-(2-methoxy-4-methylphenyl)-, Q-8110, C8H11BO3, Boronic acid, (2-methoxy-4-methylphenyl)- (9CI),

Complexity	140
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	166.08g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	165.983g/mol
Monoisotopic Mass	166.08g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	49.7A^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-P305+P351+P338
UN Code

Certificate of Analysis

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