CAS
96898-29-2 Purity
96%
96898-29-2 Purity
96%
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2-CHLORO-4,6-DINITROTOLUENE
CAS
96-90-2
Catalog Number
ACM96902
Category
Other Products
Molecular Formula
C7H5ClN2O4
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Specification
Synonyms
2-CHLORO-4,6-DINITROTOLUENE
IUPAC Name
1-chloro-2-methyl-3,5-dinitrobenzene
Canonical SMILES
CC1=C(C=C(C=C1Cl)[N+](=O)[O-])[N+](=O)[O-]
InChI Key
UECPDWARCDGMQV-UHFFFAOYSA-N
Melting Point
49ºC
Density
1.532
Exact Mass
215.99400
H-Bond Acceptor
4
H-Bond Donor
0
What is the molecular formula of 2-chloro-4,6-dinitrotoluene?
The molecular formula of 2-chloro-4,6-dinitrotoluene is C7H5ClN2O4.
When was the PubChem CID for 2-chloro-4,6-dinitrotoluene created and modified?
The PubChem CID for 2-chloro-4,6-dinitrotoluene was created on February 8, 2007, and last modified on December 30, 2023.
What is the IUPAC name of 2-chloro-4,6-dinitrotoluene?
The IUPAC name of 2-chloro-4,6-dinitrotoluene is 1-chloro-2-methyl-3,5-dinitrobenzene.
What is the InChIKey of 2-chloro-4,6-dinitrotoluene?
The InChIKey of 2-chloro-4,6-dinitrotoluene is UECPDWARCDGMQV-UHFFFAOYSA-N.
What is the molecular weight of 2-chloro-4,6-dinitrotoluene?
The molecular weight of 2-chloro-4,6-dinitrotoluene is 216.58 g/mol.
How many hydrogen bond donor counts does 2-chloro-4,6-dinitrotoluene have?
2-chloro-4,6-dinitrotoluene has 0 hydrogen bond donor counts.
What is the topological polar surface area of 2-chloro-4,6-dinitrotoluene?
The topological polar surface area of 2-chloro-4,6-dinitrotoluene is 91.6 Å^2.
How many defined atom stereocenter counts does 2-chloro-4,6-dinitrotoluene have?
2-chloro-4,6-dinitrotoluene has 0 defined atom stereocenter counts.
Is the compound canonicalized according to PubChem?
Yes, the compound is canonicalized according to PubChem.
What is the XLogP3 value of 2-chloro-4,6-dinitrotoluene?
The XLogP3 value of 2-chloro-4,6-dinitrotoluene is 2.4.
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