AG002SSK

263368-72-5 | Boronic acid, B-(4-ethynylphenyl)-

AG002SSK

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CAS Number	263368-72-5
Catalog Number	AG002SSK(AGN-PC-043665)
Chemical Name	Boronic acid, B-(4-ethynylphenyl)-
IUPAC Name	(4-ethynylphenyl)boronic acid
InChI	InChI=1S/C8H7BO2/c1-2-7-3-5-8(6-4-7)9(10)11/h1,3-6,10-11H
InChI Key	RRRYTONNYRBSRP-UHFFFAOYSA-N
MDL Number	MFCD08689553
Molecular Formula	C8H7BO2
Molecular Weight	145.9510
SMILES	C#Cc1ccc(cc1)B(O)O
Synonyms	263368-72-5, 4-ETHYNYLPHENYLBORONIC ACID, 4-(DIHYDROXYBOROPHENYL)ACETYLENE, (4-Ethynylphenyl)boronic acid, Boronic acid, (4-ethynylphenyl)- (9CI), 4-ethynylbenzeneboronic acid, SCHEMBL540293, CTK8B2892, DTXSID10634092, RRRYTONNYRBSRP-UHFFFAOYSA-N, ANW-41270, Boronic acid, B-(4-ethynylphenyl)-, FCH862408, MFCD08689553, AKOS006289761, ZINC169794578, AB48280, RTR-011969, ACM263368725, OR361136, TR-011969, 4-(dihydroxyborophenyl)acetylene, AldrichCPR, X0664, C-1939, I14-31089, Boronicacid, -, C8H7BO2,

Complexity	162
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	146.054g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	145.952g/mol
Monoisotopic Mass	146.054g/mol
Rotatable Bond Count	2
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	H319-H302
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

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