AG00027V

100511-00-0 | 3,3-Dimethyl-5-nitroindolin-2-one

AG00027V

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CAS Number	100511-00-0
Catalog Number	AG00027V(AGN-PC-00PDRE)
Chemical Name	3,3-Dimethyl-5-nitroindolin-2-one
IUPAC Name	3,3-dimethyl-5-nitro-1H-indol-2-one
InChI	InChI=1S/C10H10N2O3/c1-10(2)7-5-6(12(14)15)3-4-8(7)11-9(10)13/h3-5H,1-2H3,(H,11,13)
InChI Key	UMHSOWVJQJFESZ-UHFFFAOYSA-N
MDL Number	MFCD13191795
Molecular Formula	C10H10N2O3
Molecular Weight	206.1980
SMILES	O=C1NC2=C(C=C([N+]([O-])=O)C=C2)C1(C)C
Synonyms	3,3-Dimethyl-5-nitroindolin-2-one, 100511-00-0, 2H-INDOL-2-ONE, 1,3-DIHYDRO-3,3-DIMETHYL-5-NITRO-, 3,3-DIMETHYL-5-NITRO-1,3-DIHYDRO-INDOL-2-ONE, 5-Nitrodimethylindolinon, SCHEMBL1841727, SCHEMBL14401666, DTXSID90573157, UMHSOWVJQJFESZ-UHFFFAOYSA-N, 0217AA, MFCD13191795, ZINC34568191, AKOS016011384, PB30060, AJ-89390, AK122526, NS-02212, OR302466, AX8246444, 4CH-022184, CS-0036634, FT-0750627, ST24041113, 3,3-DIMETHYL-5-NITRO-1H-INDOL-2-ONE, Q-1544, 3,3-Dimethyl-5-nitro-1,3-dihydro-2H-indol-2-one, 3,3-dimethyl-5-nitro-2,3-dihydro-1H-indol-2-one, C10H10N2O3, 3,3-Dimethyl-5-nitroindolin-2-one, 95% - 1G 1g,

Complexity	308
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	206.069g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	206.201g/mol
Monoisotopic Mass	206.069g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	74.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H317
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

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