4-Nitro-N-Phenylphthalimide

CAT: 0127-OR1011629-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1011629-01Size:250 mg

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CAS Number

40392-27-6

MDL Number

MFCD00191559

Purity

99%

Smiles

[O-][N+](=O)c1ccc2C(=O)N(C(=O)c2c1)c3ccccc3

Chemical Information

4-Nitro-N-phenylphthalimide

CAS Number	40392-27-6
PubChem CID	762600
IUPAC Name	5-nitro-2-phenylisoindole-1,3-dione
Molecular Formula	C14H8N2O4
Molecular Weight	268.22
XLogP	2.2
Topological Polar Surface Area	83.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	20
Formal Charge	0
Complexity	439

SMILES

C1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H8N2O4/c17-13-11-7-6-10(16(19)20)8-12(11)14(18)15(13)9-4-2-1-3-5-9/h1-8H

InChIKey

HNNCFMUZZXJQLR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 40392-27-6

CID: 762600

Formula: C14H8N2O4

MW: 268.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	268.22
XLogP3	2.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	268.04840674
Monoisotopic Mass	268.04840674
Topological Polar Surface Area	83.2 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	439
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
OR13078	4-Nitro-N, N-dimethylaniline
OR1011630-01	4-Nitro-N-Propylbenzenesulfonamide
OR97974	4-Nitro-N-propylbenzamide
OR111229	4-Nitro-N-pyridin-4-ylbenzenesulfonamide
OR13074	3-Iodo-4-nitro-N, N-dimethylaniline
OR13075	4-Iodo-3-nitro-N, N-dimethylaniline
OR13066	3-Amino-4-nitro-N, N-dimethylaniline
OR1039940-01	4-Bromo-2-nitro-N-phenylaniline
OR310600-01	N-Methyl- (4-nitro) -benzyl sulfonamide
OR937419-01	N-Methyl-4-nitro-o-toluidine

Catalog	Name
sc-486905	4-Nitro-N-phenylphthalimide
sc-250487	N-Phenylphthalimide
P14480	N-Phenylphthalimide 97%
FH 10 00PN-01	4-nitro-N, N-diphenylaniline
YAA53047-01	4-Nitro-N-propylbenzenesulfonamide
sc-232915	4-Nitro-N-propylbenzamide
sc-267699	4-Nitro-N-carboethoxyphthalimide
FH 10 MNPN-01	4-nitro-N- (4-nitrophenyl) -N-phenylaniline
CS-O-31880	4-Nitro Lutidine N-oxide
sc-264930	1-Nitro-4-n-propylbenzene