AG003G7N

1072951-64-4 | 2-[(2',6'-Diisopropylphenoxy)methyl]phenylboronic acid

AG003G7N

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CAS Number	1072951-64-4
Catalog Number	AG003G7N(AGN-PC-0WA5UJ)
Chemical Name	2-[(2',6'-Diisopropylphenoxy)methyl]phenylboronic acid
IUPAC Name	[2-[[2,6-di(propan-2-yl)phenoxy]methyl]phenyl]boronic acid
InChI	InChI=1S/C19H25BO3/c1-13(2)16-9-7-10-17(14(3)4)19(16)23-12-15-8-5-6-11-18(15)20(21)22/h5-11,13-14,21-22H,12H2,1-4H3
InChI Key	HPQFMTHWDXHLCU-UHFFFAOYSA-N
MDL Number	MFCD08705265
Molecular Formula	C19H25BO3
Molecular Weight	312.2110
SMILES	OB(c1ccccc1COc1c(cccc1C(C)C)C(C)C)O
Synonyms	1072951-64-4, (2-((2,6-Diisopropylphenoxy)methyl)phenyl)boronic acid, 2-[(2',6'-Diisopropylphenoxy)methyl]phenylboronic acid, 2-[(2,6-Diisopropylphenoxy)methyl]phenylboronic acid, SCHEMBL2559245, CTK8A9147, DTXSID50584805, ANW-15693, MFCD08705265, AKOS015894213, ZINC169903642, RTR-001627, OR361137, AX8254780, TR-001627, Z7074, I04-6869, (2-{[2,6-Di(propan-2-yl)phenoxy]methyl}phenyl)boronic acid, 2-[(2 inverted exclamation marka,6 inverted exclamation marka-Diisopropylphenoxy)methyl]phenylboronic acid, C19H25BO3, (2-((2,6-Diisopropylphenoxy)methyl)phenyl)boronicacid,

Complexity	330
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	312.19g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	312.216g/mol
Monoisotopic Mass	312.19g/mol
Rotatable Bond Count	6
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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