AG009AVT

133997-05-4 | 4-(N-Octyl)benzeneboronic acid

AG009AVT

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CAS Number	133997-05-4
Catalog Number	AG009AVT(AGN-PC-0L71XT)
Chemical Name	4-(N-Octyl)benzeneboronic acid
IUPAC Name	(4-octylphenyl)boronic acid
InChI	InChI=1S/C14H23BO2/c1-2-3-4-5-6-7-8-13-9-11-14(12-10-13)15(16)17/h9-12,16-17H,2-8H2,1H3
InChI Key	HUKDAABRKOWPNA-UHFFFAOYSA-N
MDL Number	MFCD04039034
Molecular Formula	C14H23BO2
Molecular Weight	234.1422
SMILES	C(CCCCCCC)C1=CC=C(C=C1)B(O)O
Synonyms	(4-octylphenyl)boronic Acid, 133997-05-4, 4-octylphenylboronic acid, 4-n-Octylphenylboronic acid, 4-(n-Octyl)benzeneboronic acid, (4-n-octylphenyl)boronic acid, AC1N5NPH, p-n-octylphenylboronic acid, SCHEMBL1021739, KS-00000LQR, DTXSID50400718, HUKDAABRKOWPNA-UHFFFAOYSA-N, ZX-AT011002, MFCD04039034, OR7246, AKOS004116143, ZINC169807369, AK407546, AM806922, DS-18678, DB-063005, FT-0729817, I14-34635, CID4197992,

Complexity	177
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	234.179g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	234.146g/mol
Monoisotopic Mass	234.179g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	40.5A^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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