4-Nitrophthalimide

CAT: 0024-sc-238934Size: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-238934Size:5 g

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CAS Number

89-40-7

Chemical Information

4-Nitrophthalimide

4-nitrophthalimide is a yellow powder. (NTP, 1992)

CAS Number	89-40-7
PubChem CID	6969
IUPAC Name	5-nitroisoindole-1,3-dione
Molecular Formula	C8H4N2O4
Molecular Weight	192.13
XLogP	1
Topological Polar Surface Area	92
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Heavy Atom Count	14
Formal Charge	0
Complexity	309

SMILES

C1=CC2=C(C=C1[N+](=O)[O-])C(=O)NC2=O

InChI

InChI=1S/C8H4N2O4/c11-7-5-2-1-4(10(13)14)3-6(5)8(12)9-7/h1-3H,(H,9,11,12)

InChIKey

ANYWGXDASKQYAD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 89-40-7

CID: 6969

Formula: C8H4N2O4

MW: 192.13

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	192.13
XLogP3	1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	192.01710661
Monoisotopic Mass	192.01710661
Topological Polar Surface Area	92 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	309
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-277254	4-Chloro-5-nitrophthalimide
sc-214146	3-Nitrophthalimide
sc-214269	4-Nitrophthalamide
sc-233637	6-Nitrophthalide
sc-262190B	4,4,4-Trifluorobutyraldehyde
sc-262192A	4,4,4-Trifluorocrotonamide
sc-284451	4,4,4-Trifluorobutylamine
sc-262190	4,4,4-Trifluorobutyraldehyde
sc-476168	4,4',4''-Trihydroxytriphenylmethane
sc-262193	4,4,4-Trifluorocrotononitrile

Catalog	Name
1141150 25	4-Nitrophthalimide
N11560-01	4-Nitrophthalimide 97%
267559-01	4-Chloro-5-nitrophthalimide
458503-01	N-Chloromethyl-4-nitrophthalimide
280183-01	N-Hydroxy-4-nitrophthalimide
GTR19254165-01	3-Nitrophthalimide
AR-C04032-01	4-Nitrophthalimide (Citalopram Nitro Compound)
OR018728	N- (4-Bromobut-1-yl) -4-nitrophthalimide
OR1079725-01	N-Chloromethyl-4-nitrophthalimide [for HPLC Labeling]
OR1545	N- (3-Bromoprop-1-yl) -4-nitrophthalimide