4-Nitro-1-isoindolinone

CAT: 0024-sc-299565Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-299565Size:1 mg

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CAS Number

366452-97-3

Chemical Information

4-nitro-2,3-dihydro-1H-isoindol-1-one

CAS Number	366452-97-3
PubChem CID	21961387
IUPAC Name	4-nitro-2,3-dihydroisoindol-1-one
Molecular Formula	C8H6N2O3
Molecular Weight	178.14
XLogP	0.6
Topological Polar Surface Area	74.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	13
Formal Charge	0
Complexity	248

SMILES

C1C2=C(C=CC=C2[N+](=O)[O-])C(=O)N1

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)

InChIKey

RTDDSWLIZLMORY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 366452-97-3

CID: 21961387

Formula: C8H6N2O3

MW: 178.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	178.14
XLogP3	0.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	178.03784206
Monoisotopic Mass	178.03784206
Topological Polar Surface Area	74.9 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	248
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-299360A	4-Amino-1-isoindolinone
sc-299360	4-Amino-1-isoindolinone
sc-493093	4-Nitro-1-indanone
sc-297866A	1-Nitro-4-vinylbenzene
sc-277576	4-Nitro-1-naphthol
sc-238913	4-Nitro-1-naphthylamine
sc-297866	1-Nitro-4-vinylbenzene
sc-297866B	1-Nitro-4-vinylbenzene
sc-262266A	4'-Nitro-[1,1'-biphenyl]-4-carboxaldehyde
sc-262266	4'-Nitro-[1,1'-biphenyl]-4-carboxaldehyde

Catalog	Name
TRC-C378535-25MG	3-(4-Chlorophenyl)-1-isoindolinone
422828-01	3- (4-Chlorophenyl) -1-isoindolinone
TRC-C378537-1MG	3-(4-Chlorophenyl)-1-isoindolinone-d4
PDK0232	Isoindolinone
HY-W745874	3- (4-Chlorophenyl) -1-isoindolinone-d4
GTR19253943-01	[1 (3H) -isoindolinone-3-yl]acetic acid
OR1052736-01	1-Nitro-4-phenethoxybenzene
OR942971-01	4-Nitro-1-naphthol
abx188136	1-Nitro-4-Vinylbenzene
OR1059454-01	1-Nitro-4-octylbenzene