CAS
97073-51-3 Purity
96%
97073-51-3 Purity
96%
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2,4-Dinitro-N-(4-nitrophenyl)aniline
CAS
970-76-3
Catalog Number
ACM970763
Category
Other Products
Molecular Weight
304.215 g/mol
Molecular Formula
C12H8N4O6
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Specification
Synonyms
MolPort-000-384-873, CID13774, EINECS 213-536-7, 2,4-Dinitro-N-(4-nitrophenyl)aniline, AI3-01555, OR26126, Benzenamine, 2,4-dinitro-N-(4-nitrophenyl)-, 970-76-3
IUPAC Name
2,4-dinitro-N-(4-nitrophenyl)aniline
Canonical SMILES
C1=CC(=CC=C1NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
InChI Key
MQZAHSOZWFOSGD-UHFFFAOYSA-N
Boiling Point
491.1ºC at 760mmHg
Flash Point
250.8ºC
Density
1.592g/cm³
EC Number
213-536-7
Exact Mass
304.04400
H-Bond Acceptor
7
H-Bond Donor
1
What is the molecular formula of 2,4-Dinitro-N-(4-nitrophenyl)aniline?
The molecular formula is C12H8N4O6.
When was PubChem CID 13774 created and last modified?
It was created on 2005-07-19 and last modified on 2023-12-30.
What is the IUPAC name of 2,4-Dinitro-N-(4-nitrophenyl)aniline?
The IUPAC name is 2,4-dinitro-N-(4-nitrophenyl)aniline.
What is the Canonical SMILES for 2,4-Dinitro-N-(4-nitrophenyl)aniline?
The Canonical SMILES is C1=CC(=CC=C1NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-].
What is the CAS number for 2,4-Dinitro-N-(4-nitrophenyl)aniline?
The CAS number is 970-76-3.
What is the molecular weight of 2,4-Dinitro-N-(4-nitrophenyl)aniline?
The molecular weight is 304.21 g/mol.
How many hydrogen bond acceptor counts are there in 2,4-Dinitro-N-(4-nitrophenyl)aniline?
There are 7 hydrogen bond acceptor counts.
What is the exact mass of 2,4-Dinitro-N-(4-nitrophenyl)aniline?
The exact mass is 304.04438399 g/mol.
What is the topological polar surface area of 2,4-Dinitro-N-(4-nitrophenyl)aniline?
The topological polar surface area is 150 Ų.
Is the compound canonicalized for 2,4-Dinitro-N-(4-nitrophenyl)aniline?
Yes, the compound is canonicalized.
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