AG000O3D

1256355-31-3 | Boronic acid, B-[4-methyl-3-(phenylmethoxy)phenyl]-

AG000O3D

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CAS Number	1256355-31-3
Catalog Number	AG000O3D(AGN-PC-07XUL5)
Chemical Name	Boronic acid, B-[4-methyl-3-(phenylmethoxy)phenyl]-
IUPAC Name	(4-methyl-3-phenylmethoxyphenyl)boronic acid
InChI	InChI=1S/C14H15BO3/c1-11-7-8-13(15(16)17)9-14(11)18-10-12-5-3-2-4-6-12/h2-9,16-17H,10H2,1H3
InChI Key	NJDWFMZIGIGFTM-UHFFFAOYSA-N
MDL Number	MFCD11617255
Molecular Formula	C14H15BO3
Molecular Weight	242.0781
SMILES	CC1=C(OCC2=CC=CC=C2)C=C(C=C1)B(O)O
Synonyms	1256355-31-3, (3-(Benzyloxy)-4-methylphenyl)boronic acid, 3-(BENZYLOXY)-4-METHYLPHENYLBORONIC ACID, [3-(Benzyloxy)-4-methylphenyl]boronic acid, ACMC-209ayo, CTK4B4603, DTXSID40675337, ANW-18478, MFCD11617255, AKOS015839479, ZINC169747887, AM86455, FCH2839593, AK-61548, AS-55541, BC001849, OR360212, AX8217603, TR-035263, CS-0086827, FT-0697486, ST24034257, X1926, B-3482, I04-2171, 3-(Benzyloxy)-4-methylphenylboronic acid, AldrichCPR, Boronic acid, B-[4-methyl-3-(phenylmethoxy)phenyl]-, 7NM, C14H15BO3, ACN-034177, [3-(benzyloxy)-4-methylphenyl]borinic acid,

Complexity	241
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	242.111g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	242.081g/mol
Monoisotopic Mass	242.111g/mol
Rotatable Bond Count	4
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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