AG00C6K9

40276-63-9 | 2-benzylphenylboronic acid

AG00C6K9

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CAS Number	40276-63-9
Catalog Number	AG00C6K9(AGN-PC-0EHNHU)
Chemical Name	2-benzylphenylboronic acid
IUPAC Name	(2-benzylphenyl)boronic acid
InChI	InChI=1S/C13H13BO2/c15-14(16)13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-9,15-16H,10H2
InChI Key	QGEKLPGERLPRSX-UHFFFAOYSA-N
MDL Number	MFCD16725656
Molecular Formula	C13H13BO2
Molecular Weight	212.0521
SMILES	OB(C1=CC=CC=C1CC2=CC=CC=C2)O
Synonyms	(2-Benzylphenyl)boronic acid, 40276-63-9, 2-BENZYLPHENYLBORONIC ACID, (2-benzylphenyl)boranediol, (o-Benzylphenyl)boronic acid, DTXSID40734357, CS-D0462, 5390AB, MFCD16725656, AKOS011535801, ZINC169747193, DS-6882, NE26869, KS-00000R62, AK123101, ST2407876, 4CH-016666, (2-Benzylphenyl)boronicacid, C13H13BO2,

Complexity	202
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	212.101g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	212.055g/mol
Monoisotopic Mass	212.101g/mol
Rotatable Bond Count	3
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-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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