AG0037JS

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CAS Number	366452-97-3
Catalog Number	AG0037JS(AGN-PC-03ICPU)
Chemical Name	4-NITROISOINDOLIN-1-ONE
IUPAC Name	4-nitro-2,3-dihydroisoindol-1-one
InChI	InChI=1S/C8H6N2O3/c11-8-5-2-1-3-7(10(12)13)6(5)4-9-8/h1-3H,4H2,(H,9,11)
InChI Key	RTDDSWLIZLMORY-UHFFFAOYSA-N
MDL Number	MFCD09701290
Molecular Formula	C8H6N2O3
Molecular Weight	178.1448
SMILES	O=C1NCc2c1cccc2[N+](=O)[O-]
Synonyms	4-nitroisoindolin-1-one, 366452-97-3, 4-nitro-2,3-dihydro-1H-isoindol-1-one, 4-Nitro-2,3-dihydro-isoindol-1-one, 1H-ISOINDOL-1-ONE, 2,3-DIHYDRO-4-NITRO-, nitroisoindolinone, 4-nitro-2,3-dihydroisoindol-1-one, 4-nitro-1-isoindolinone, SCHEMBL869059, CTK4H6945, DTXSID90620852, HIN1745, RTDDSWLIZLMORY-UHFFFAOYSA-N, 4655AB, ANW-52620, MFCD09701290, SBB089381, ZINC16698760, AKOS005072373, AB51010, ACN-000021, EC-0724, MCULE-3602688200, RP10795, 4-Nitro-2, 3-dihydro-isoindol-1-one, AC-28869, AJ-69535, AK-51118, AN-28589, SC-50575, AB0070013, AB1010381, TC-141365, 4CH-010715, A6321, AM20040291, FT-0726821, ST24023630, L-1792, I10-1036, J-515875, I14-14009, Z2515207586, 4-Nitro-2,3-dihydro-isoindol-1-one;4-Nitro-2,3-dihydro-1H-isoindolin-1-one, C8H6N2O3,

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

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CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited