AG0037JH

590417-67-7 | 2-Methylbenzothiazole-5-boronic acid

AG0037JH

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CAS Number	590417-67-7
Catalog Number	AG0037JH(AGN-PC-03IL1R)
Chemical Name	2-Methylbenzothiazole-5-boronic acid
IUPAC Name	(2-methyl-1,3-benzothiazol-5-yl)boronic acid
InChI	InChI=1S/C8H8BNO2S/c1-5-10-7-4-6(9(11)12)2-3-8(7)13-5/h2-4,11-12H,1H3
InChI Key	XFPZHJXTRXAWAO-UHFFFAOYSA-N
MDL Number	MFCD12025970
Molecular Formula	C8H8BNO2S
Molecular Weight	193.0306
SMILES	CC=1SC2=C(N1)C=C(C=C2)B(O)O
Synonyms	590417-67-7, 2-Methylbenzothiazole-5-boronic acid, (2-Methylbenzo[d]thiazol-5-yl)boronic acid, Boronic acid, (2-methyl-5-benzothiazolyl)- (9CI), (2-Methyl-1,3-benzothiazol-5-yl)boronic acid, Boronic acid, (2-methyl-5-benzothiazolyl)-, SCHEMBL489674, CTK1G8701, DTXSID90621107, XFPZHJXTRXAWAO-UHFFFAOYSA-N, ANW-33129, FCH898077, MFCD12025970, 2-methyl-benzothiazole-5-boronic acid, AKOS006315270, ZINC169794748, RTR-020492, AK-85461, AS-55553, OR361421, SC-87661, TR-020492, CS-0030599, X0892, A-9162, Boronic acid, B-(2-methyl-5-benzothiazolyl)-, 2-Methylbenzothiazole-5-boronic acid, AldrichCPR, I01-11474, Boronicacid, -, C8H8BNO2S,

Complexity	193
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	193.037g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	193.027g/mol
Monoisotopic Mass	193.037g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	81.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H319
Packing Group
Precautionary statements	P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

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