3-Nitrophthalhydrazide

CAT: 0127-OR939955-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR939955-01Size:5 g

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CAS Number

3682-15-3

MDL Number

MFCD00006889

Purity

97%

Smiles

[O-][N+](=O)c1cccc2C(=O)NNC(=O)c12

Chemical Information

1,4-Phthalazinedione, 2,3-dihydro-5-nitro-

CAS Number	3682-15-3
PubChem CID	3525223
IUPAC Name	5-nitro-2,3-dihydrophthalazine-1,4-dione
Molecular Formula	C8H5N3O4
Molecular Weight	207.14
XLogP	0.3
Topological Polar Surface Area	104
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Heavy Atom Count	15
Formal Charge	0
Complexity	324

SMILES

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)NNC2=O

InChI

InChI=1S/C8H5N3O4/c12-7-4-2-1-3-5(11(14)15)6(4)8(13)10-9-7/h1-3H,(H,9,12)(H,10,13)

InChIKey

YVOBBFQJMOGQOU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 3682-15-3

CID: 3525223

Formula: C8H5N3O4

MW: 207.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	207.14
XLogP3	0.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	207.02800565
Monoisotopic Mass	207.02800565
Topological Polar Surface Area	104 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	324
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
PC6825	3,3,3-Trifluoropropyl 3,3,3-trifluoropropanoate
PC7820FJ-01	3- (3,3,3-Trifluoropropyl) heptamethyltrisiloxane
PC1007482-01	3,3,3-Trifluoropropanehydrazide
OR1043029-01	3,3',3''-Nitrilotripropanamide
PC901625	3,3,3-Trifluoropropanamide
OR89892-01	3,3',3''-Nitrilotripropanenitrile
PC4452-01	3,3,3-Trifluoropropylmethyldimethoxysilane
PC4603-01	3,3,3-Trifluoropropylamine
OR1060769-01	3,3',3''-Phosphanetriyltriphenol
PC4553-01	3,3,3-Trifluoropropanenitrile

Catalog	Name
sc-231888	3-Nitrophthalhydrazide
PDC53711-01	3- (3,3,3-Trifluoropropoxy) piperidine
sc-260433A	3- (3,3,3-Trifluoropropyl) heptamethyltrisiloxane
QPA42834	3,3,3-Trifluoropropanethioamide
426796-01	3,3,3-Trifluoroalanine
sc-261128A	3,3,3-Trifluoropropionaldehyde
NU-456L	3',3',3'-cAAG
JMB17199-01	3,3,3-Trifluoropropanehydrazide
sc-261129	3,3,3-Trifluoropropionitrile
sc-347307A	3,3,3-trifluoropropanamide