AG00BFBH

221352-10-9 | 3,3-Dimethylbenzo[c][1,2]oxaborol-1(3H)-ol

AG00BFBH

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CAS Number	221352-10-9
Catalog Number	AG00BFBH(AGN-PC-0730T0)
Chemical Name	3,3-Dimethylbenzo[c][1,2]oxaborol-1(3H)-ol
IUPAC Name	1-hydroxy-3,3-dimethyl-2,1-benzoxaborole
InChI	InChI=1S/C9H11BO2/c1-9(2)7-5-3-4-6-8(7)10(11)12-9/h3-6,11H,1-2H3
InChI Key	XPHBVPSNNPMQPE-UHFFFAOYSA-N
MDL Number	MFCD13180474
Molecular Formula	C9H11BO2
Molecular Weight	161.9934
SMILES	OB1OC(C)(C)C2=CC=CC=C12
Synonyms	3,3-dimethylbenzo[c][1,2]oxaborol-1(3H)-ol, 221352-10-9, 1,3-Dihydro-1-hydroxy-3,3-dimethyl-2,1-benzoxaborole, 3,3-dimethyl-3H-benzo[c][1,2]oxaborol-1-ol, 1-hydroxy-3,3-dimethyl-2,1-benzoxaborole, SCHEMBL1164604, 3,3-Gem-Dimethyl Benzoxaborole, CHEMBL2036004, DTXSID10657963, XPHBVPSNNPMQPE-UHFFFAOYSA-N, 1225AB, MFCD13180474, ZINC169748375, DS-4320, FCH1165602, QC-4857, AK109384, 3,3-Dimethyl-2,1-benzoxaborol-1(3H)-ol, AX8227504, 3,3-dimethyl-1-oxidanyl-2,1-benzoxaborole, CS-0078620, FT-0659145, ST24041116, A815964, 3,3-Dimethyl-1,3-dihydro-2,1-benzoxaborole-1-ol, S14-0890, C9H11BO2,

Complexity	181
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	162.085g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	161.995g/mol
Monoisotopic Mass	162.085g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	29.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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