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N-Hydroxy-2,4-dinitrobenzenamine

HCID 5743493
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
51348-06-2
Standard SMILES
O=[N+]([O-])c1ccc(NO)c([N+](=O)[O-])c1
InChIKey
IHUQJPKASFTOBM-UHFFFAOYSA-N
Molecular formula
C6H5N3O5
Average molar mass
199.12 g/mol
Monoisotopic mass
199.02292026

Names & identifiers

Preferred name
N-Hydroxy-2,4-dinitrobenzenamine
IUPAC
N-(2,4-dinitrophenyl)hydroxylamine

Names & synonyms

N-Hydroxy-2,4-dinitrobenzenamineBenzenamine, N-hydroxy-2,4-dinitro-51348-06-2UNII-K711S0X7TIK711S0X7TIDTXSID80199345RefChem:163478DTXCID101218362,4-DINITROPHENYLHYDROXYLAMINEN-(2,4-dinitrophenyl)hydroxylamineN-Hydroxy-2,4-dinitroanilineSCHEMBL3132093
Show more names
SCHEMBL29465849IHUQJPKASFTOBM-UHFFFAOYSA-NCS-11162Q27282029

Database identifiers

CAS
51348-06-2
PubChem CID
5743493
DTXSID
DTXSID80199345
UNII
K711S0X7TI
Nikkaji
J1.662.408J

Properties

Computed structural properties

XLogP
1.7
Topological polar surface area
124 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
1
Heavy atoms
14
Formal charge
0
Complexity
235

Related reactions

14 records
New reaction record
HRID 4565 reaction equation
HRID 4565As reactantuspto-grants-1988_02
HRID 10325 reaction equation
HRID 10325As reactantuspto-grants-2006_08
HRID 10326 reaction equation
HRID 10326As reactantuspto-grants-2006_08
HRID 10327 reaction equation
HRID 10327As reactantuspto-grants-2006_08
HRID 123921 reaction equation
HRID 123921As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 193766 reaction equation
HRID 193766As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 729411 reaction equation
HRID 729411As reactantuspto-grants-2009_09
HRID 729412 reaction equation
HRID 729412As reactantuspto-grants-2009_09
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Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes