AG003GTH

480438-72-0 | 2-Butoxy-5-methylphenylboronic acid

AG003GTH

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CAS Number	480438-72-0
Catalog Number	AG003GTH(AGN-PC-0KXC4J)
Chemical Name	2-Butoxy-5-methylphenylboronic acid
IUPAC Name	(2-butoxy-5-methylphenyl)boronic acid
InChI	InChI=1S/C11H17BO3/c1-3-4-7-15-11-6-5-9(2)8-10(11)12(13)14/h5-6,8,13-14H,3-4,7H2,1-2H3
InChI Key	MIFKETUXFNRADI-UHFFFAOYSA-N
MDL Number	MFCD04974068
Molecular Formula	C11H17BO3
Molecular Weight	208.0619
SMILES	CCCCOC1=C(C=C(C)C=C1)B(O)O
Synonyms	2-Butoxy-5-methylphenylboronic acid, 480438-72-0, ACMC-209kc1, AC1MU24H, SCHEMBL3318133, CTK4J0593, DTXSID60394174, 2-Butoxy-5-methylphenylboronicacid, ANW-30623, MFCD04974068, (2-butoxy-5-methylphenyl)boronic acid, AKOS004114045, ZINC169844702, AB21466, CB-1045, RTR-017642, OR360831, AX8161545, DB-010362, FT-0698461, X0849, I04-2236, C11H17BO3, ACN-034229, CID3611527, (2-butoxy-5-methyl-phenyl)boronic Acid, Boronic acid, (2-butoxy-5-methylphenyl)- (9CI),

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	P233-P260-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P330-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
UN Code

Certificate of Analysis

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