AG004WCG

851768-35-9 | 5-Amino-3-methylbenzo[d]isoxazole

AG004WCG

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CAS Number	851768-35-9
Catalog Number	AG004WCG(AGN-PC-03A88X)
Chemical Name	5-Amino-3-methylbenzo[d]isoxazole
IUPAC Name	3-methyl-1,2-benzoxazol-5-amine
InChI	InChI=1S/C8H8N2O/c1-5-7-4-6(9)2-3-8(7)11-10-5/h2-4H,9H2,1H3
InChI Key	WDDYNCREWBOZLG-UHFFFAOYSA-N
MDL Number	MFCD11111683
Molecular Formula	C8H8N2O
Molecular Weight	148.1619
SMILES	CC1=NOC2=C1C=C(N)C=C2
Synonyms	5-Amino-3-methylbenzo[d]isoxazole, 851768-35-9, 3-methylbenzo[d]isoxazol-5-amine, 3-Methyl-1,2-benzoxazol-5-amine, 1,2-Benzisoxazol-5-amine, 3-methyl-, 3-Methyl-benzo[d]isoxazol-5-ylamine, SCHEMBL5334311, CTK8C3947, KS-00000QPI, DTXSID00612647, WDDYNCREWBOZLG-UHFFFAOYSA-N, ANW-70849, MFCD11111683, ZINC19844379, 5-amino-3-methyl-1,2-benzisoxazole, AKOS000216305, DS-2657, MP-1721, AJ-75281, AK104938, CJ-16417, TC-159594, 4CH-012098, ST24023826, Z5192, C8H8N2O, ACN-030457, 1,2-BENZISOXAZOL-5-AMINE,3-METHYL-,

Complexity	151
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	148.064g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	148.165g/mol
Monoisotopic Mass	148.064g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	52A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

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

Lot Number