AG008FTW

852432-98-5 | Quinoxaline-6-boronic acid

AG008FTW

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CAS Number	852432-98-5
Catalog Number	AG008FTW(AGN-PC-07A7TM)
Chemical Name	Quinoxaline-6-boronic acid
IUPAC Name	quinoxalin-6-ylboronic acid
InChI	InChI=1S/C8H7BN2O2/c12-9(13)6-1-2-7-8(5-6)11-4-3-10-7/h1-5,12-13H
InChI Key	AWONZXSTLZEBCM-UHFFFAOYSA-N
MDL Number	MFCD08277243
Molecular Formula	C8H7BN2O2
Molecular Weight	173.9644
SMILES	OB(C1=CC=C2N=CC=NC2=C1)O
Synonyms	QUINOXALIN-6-YLBORONIC ACID, 852432-98-5, Quinoxalin-6-yl-6-boronic acid, QUINOXALINE-6-BORONIC ACID, (quinoxalin-6-yl)boronic acid, 6-QUINOXALINYL-BORONIC ACID, Boronic acid,6-quinoxalinyl, 6-quinoxaline boronic acid, SCHEMBL856485, CTK5F4641, DTXSID40662803, AWONZXSTLZEBCM-UHFFFAOYSA-N, MFCD08277243, AKOS010186569, BORONIC ACID, 6-QUINOXALINYL-, ZINC169747198, AB44872, NE63111, RP02838, AS-41625, Y4285, Boronicacid,6-quinoxalinyl-, C8H7BN2O2, Boronic acid, 6-quinoxalinyl- (9CI), 852362-25-5,

Complexity	180
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	174.06g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	173.966g/mol
Monoisotopic Mass	174.06g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	66.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number