AG003L1B

845551-43-1 | 4-Butoxy-2-Methylphenylboronic Acid

AG003L1B

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CAS Number	845551-43-1
Catalog Number	AG003L1B(AGN-PC-00UQGE)
Chemical Name	4-Butoxy-2-Methylphenylboronic Acid
IUPAC Name	(4-butoxy-2-methylphenyl)boronic acid
InChI	InChI=1S/C11H17BO3/c1-3-4-7-15-10-5-6-11(12(13)14)9(2)8-10/h5-6,8,13-14H,3-4,7H2,1-2H3
InChI Key	CSHDCDLMFFZDJB-UHFFFAOYSA-N
MDL Number	MFCD05664325
Molecular Formula	C11H17BO3
Molecular Weight	208.0619
SMILES	CCCCOC1=CC(C)=C(C=C1)B(O)O
Synonyms	4-Butoxy-2-methylphenylboronic acid, 845551-43-1, 4-BUTOXY-2-METHYLPHENYLBORONICACID, 4-N-BUTOXY-2-METHYLPHENYLBORONIC ACID, ACMC-209pvj, SCHEMBL539019, CTK5F2628, DTXSID10584407, ANW-37805, MFCD05664325, AKOS015839656, ZINC169747903, (4-Butoxy-2-methylphenyl)boronic acid, AB22359, CB-1060, RTR-026138, BC002001, AX8161566, TR-026138, ST24043502, X2297, B-8295, I04-2248, C11H17BO3,

Complexity	175
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	208.127g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	208.064g/mol
Monoisotopic Mass	208.127g/mol
Rotatable Bond Count	5
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	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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