AG000POV

1198156-69-2 | 4-(Isopentyloxy)phenylboronic acid

AG000POV

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CAS Number	1198156-69-2
Catalog Number	AG000POV(AGN-PC-0WA9JG)
Chemical Name	4-(Isopentyloxy)phenylboronic acid
IUPAC Name	[4-(3-methylbutoxy)phenyl]boronic acid
InChI	InChI=1S/C11H17BO3/c1-9(2)7-8-15-11-5-3-10(4-6-11)12(13)14/h3-6,9,13-14H,7-8H2,1-2H3
InChI Key	AJZCFXNTJZWRPP-UHFFFAOYSA-N
MDL Number	MFCD08276832
Molecular Formula	C11H17BO3
Molecular Weight	208.0619
SMILES	C(CC(C)C)OC1=CC=C(C=C1)B(O)O
Synonyms	1198156-69-2, (4-(Isopentyloxy)phenyl)boronic acid, 4-(Isopentyloxy)phenylboronic acid, [4-(3-Methylbutoxy)phenyl]boronic acid, [4-(3-methylbutoxy)phenyl]boranediol, AC1Q1PGS, ACMC-209a4a, CTK4B1514, KS-00000QEU, DTXSID00584774, ANW-17384, MFCD08276832, AKOS009318219, ZINC169904853, AK-84964, DS-17581, TR-034382, CS-0086817, X1656, EN300-56390, A-5353, Boronic acid, B-[4-(3-methylbutoxy)phenyl]-, I04-2195, C11H17BO3,

Complexity	165
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	208.127g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	208.064g/mol
Monoisotopic Mass	208.127g/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
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number