AG003GTL

91129-69-0 | 2-BUTOXYPHENYLBORONIC ACID

AG003GTL

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CAS Number	91129-69-0
Catalog Number	AG003GTL(AGN-PC-0LMCQX)
Chemical Name	2-BUTOXYPHENYLBORONIC ACID
IUPAC Name	(2-butoxyphenyl)boronic acid
InChI	InChI=1S/C10H15BO3/c1-2-3-8-14-10-7-5-4-6-9(10)11(12)13/h4-7,12-13H,2-3,8H2,1H3
InChI Key	NNZPYUBZXKOFHS-UHFFFAOYSA-N
MDL Number	MFCD00003903
Molecular Formula	C10H15BO3
Molecular Weight	194.0353
SMILES	OB(C1=CC=CC=C1OCCCC)O
Synonyms	2-Butoxyphenylboronic acid, 91129-69-0, (2-butoxyphenyl)boronic Acid, 2-Butoxyphenylbronic acid, Boronic acid, (2-butoxyphenyl)-, AK-44243, AC1NO8KL, 2-Butoxymethylboronic acid, 2-Butoxybenzeneboronic Acid, 2-Butyloxyphenylboronic acid, 2-butoxy phenyl boronic acid, KSC489M0F, ACMC-209r86, SCHEMBL1660589, CTK3I9602, KS-00000FYN, DTXSID40408162, NNZPYUBZXKOFHS-UHFFFAOYSA-N, ACT11112, ANW-39556, MFCD03427052, AKOS004114073, ZINC169747426, AB15040, CB-1046, LS10793, RL05732, RTR-028568, TRA0075655, VB10119, AN-34978, BC000711, DS-13272, N866, OR360036, AB1004649, AX8012257, DB-010363, ST2404288, TR-028568, B4700, FT-0642189, Q-7669, 129B690, A843728, C-08628, I04-0669, J-508567, null, 2- Butoxyphenylboronic acid, C10H15BO3, ACN-032560, CID5084100,

Complexity	152
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	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	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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