AG0037HH

25369-31-7 | 7-nitroindolin-2-one

AG0037HH

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CAS Number	25369-31-7
Catalog Number	AG0037HH(AGN-PC-0LTCVI)
Chemical Name	7-nitroindolin-2-one
IUPAC Name	7-nitro-1,3-dihydroindol-2-one
InChI	InChI=1S/C8H6N2O3/c11-7-4-5-2-1-3-6(10(12)13)8(5)9-7/h1-3H,4H2,(H,9,11)
InChI Key	VGANBSWHOYEFKJ-UHFFFAOYSA-N
MDL Number	MFCD04088356
Molecular Formula	C8H6N2O3
Molecular Weight	178.1448
SMILES	[N+](=O)([O-])C=1C=CC=C2CC(NC12)=O
Synonyms	7-Nitrooxindole, 25369-31-7, 7-nitroindolin-2-one, 7-Nitro-1,3-dihydroindol-2-one, 7-nitro-2,3-dihydro-1H-indol-2-one, VGANBSWHOYEFKJ-UHFFFAOYSA-N, MFCD04088356, 7-Nitroindolinon, 7-nitro-oxindole, zlchem 86, PubChem7444, 7-nitroindoline-2-one, 2-Indolinone,7-nitro- (8CI, AC1O502R, SCHEMBL4409786, CTK4F5567, DTXSID90423729, ZLB0074, 7-nitro-1,3-dihydro-indol-2-one, ACT02467, ANW-72876, CN-119, ZINC21301600, AKOS006294894, CM14307, RD-0142, 2H-Indol-2-one,1,3-dihydro-7-nitro-, AC-22707, AJ-78395, AK-34367, AS-17390, BC676547, BR-34367, SC-02900, U894, 2H-Indol-2-one, 1,3-dihydro-7-nitro-, AB0005930, DB-031631, TC-161621, TL8006333, 4CH-006921, FT-0602531, ST24029977, S-5440, 369N317, A817823, Q-102644, S14-0642, C8H6N2O3, ACN-040029, CID6424838,

Complexity	248
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	178.038g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	178.147g/mol
Monoisotopic Mass	178.038g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	74.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number