AG007P49

121219-08-7 | 4-Hexyloxyphenylboronic acid

AG007P49

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CAS Number	121219-08-7
Catalog Number	AG007P49(AGN-PC-0KYJ3I)
Chemical Name	4-Hexyloxyphenylboronic acid
IUPAC Name	(4-hexoxyphenyl)boronic acid
InChI	InChI=1S/C12H19BO3/c1-2-3-4-5-10-16-12-8-6-11(7-9-12)13(14)15/h6-9,14-15H,2-5,10H2,1H3
InChI Key	XYNVLFGOOWUKQS-UHFFFAOYSA-N
MDL Number	MFCD04039027
Molecular Formula	C12H19BO3
Molecular Weight	222.0885
SMILES	CCCCCCOC1=CC=C(C=C1)B(O)O
Synonyms	4-Hexyloxyphenylboronic acid, 121219-08-7, 4-(n-Hexyloxy)benzeneboronic acid, (4-hexoxyphenyl)boronic Acid, 4-Hexyloxybenzeneboronic Acid, 4-(hexyloxy)phenylboronic acid, (4-(hexyloxy)phenyl)boronic acid, B-[4-(Hexyloxy)phenyl]boronic acid, MFCD04039027, Boronic acid,B-[4-(hexyloxy)phenyl]-, [4-(hexyloxy)phenyl]boronic acid, PubChem9552, AC1MVEU3, ACMC-209a9o, 4-hexyloxybenzene boronic acid, 4-n-Hexyloxyphenylboronic acid, (4-Hexyloxyphenyl)boronic acid, 4-(Hexyloxy)phenylboranic acid, SCHEMBL2354047, CTK4B2245, DTXSID80394979, XYNVLFGOOWUKQS-UHFFFAOYSA-N, ZX-AT007082, ANW-17578, CH-377, OR7222, SBB071264, AKOS004116214, ZINC169745566, 4-[(Hex-1-yl)oxy]benzeneboronic acid, AB17282, PS-9725, RL00915, RTR-003473, VB10316, 4-(N-HEXYLOXY)BENZENEBORONICACID, 4-(N-HEXYLOXY)PHENYLBORONIC ACID, AK-46243, BC001138, N189, AX8091503, DB-028901, TL8000562, TR-003473, 4CH-023972, FT-0652478, ST24043764, A-5424, A804693, I04-0789, J-515450, 4-Hexyloxyphenylboronicacid, C12H19BO3, CID3682148, H1357, 4-n-Hexyloxybenzeneboronic acid, 98% - 1G 1g, 4-Hexyloxyphenylboronic Acid (contains varying amounts of Anhydride), N/A,

Complexity	168
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	222.143g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	222.091g/mol
Monoisotopic Mass	222.143g/mol
Rotatable Bond Count	7
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
Packing Group
Precautionary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
UN Code

Certificate of Analysis

Lot Number