AG004LAW

871126-21-5 | 4-Isopropoxy-2-methylphenylboronic acid

AG004LAW

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CAS Number	871126-21-5
Catalog Number	AG004LAW(AGN-PC-00UQSV)
Chemical Name	4-Isopropoxy-2-methylphenylboronic acid
IUPAC Name	(2-methyl-4-propan-2-yloxyphenyl)boronic acid
InChI	InChI=1S/C10H15BO3/c1-7(2)14-9-4-5-10(11(12)13)8(3)6-9/h4-7,12-13H,1-3H3
InChI Key	OEBXBUNQDNBWRP-UHFFFAOYSA-N
MDL Number	MFCD07363788
Molecular Formula	C10H15BO3
Molecular Weight	194.0353
SMILES	CC(C)OC1=CC(C)=C(C=C1)B(O)O
Synonyms	871126-21-5, 4-Isopropoxy-2-methylphenylboronic acid, (4-Isopropoxy-2-methylphenyl)boronic acid, MFCD07363788, 4-Isopropoxy-2-methylbenzeneboronic acid, Boronic acid,B-[2-methyl-4-(1-methylethoxy)phenyl]-, ACMC-209qf7, SCHEMBL15193542, CTK5F7836, DTXSID40584713, ANW-38513, AKOS015838542, ZINC169745140, AB30771, RTR-027175, BC001691, (4-Isopropoxy-2-methyl-phenyl)boronic acid, TR-054264, FT-0688871, ST24034717, X1409, B-5498, {2-Methyl-4-[(propan-2-yl)oxy]phenyl}boronic acid, I04-2065, [2-METHYL-4-(PROPAN-2-YLOXY)PHENYL]BORONIC ACID, C10H15BO3, (4-Isopropoxy-2-methylphenyl)boronicacid, 4-METHOXY-N-(3-METHYLBENZYL)ANILINE, 4-ISOPROPOXY-2-METHYLPHENYLBORONICACID,

Complexity	173
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	194.111g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	194.037g/mol
Monoisotopic Mass	194.111g/mol
Rotatable Bond Count	3
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-P280a-P304+P340-P305+P351+P338-P405-P501a
UN Code

Certificate of Analysis

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