CAS
95192-58-8 Purity
96%
95192-58-8 Purity
96%
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2-Chloro-4,6-dinitrobenzoic acid
CAS
95192-61-3
Catalog Number
ACM95192613
Category
Other Products
Molecular Weight
246.56
Molecular Formula
C7H3ClN2O6
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Specification
Synonyms
2-CHLORO-4,6-DINITROBENZOIC ACID
IUPAC Name
2-chloro-4,6-dinitrobenzoic acid
SMILES
C1=C(C=C(C(=C1[N+](=O)[O-])C(=O)O)Cl)[N+](=O)[O-]
InChI Key
QBIQLTOUDBEJCV-UHFFFAOYSA-N
Boiling Point
400.1ºC at 760mmHg
Flash Point
195.8ºC
Density
1.791g/cm³
Exact Mass
245.96800
H-Bond Acceptor
6
H-Bond Donor
1
What is the molecular formula of 2-Chloro-4,6-dinitrobenzoic acid?
The molecular formula of 2-Chloro-4,6-dinitrobenzoic acid is C7H3ClN2O6.
When was the PubChem CID 2762953 created?
The PubChem CID 2762953 was created on July 19, 2005.
What is the molecular weight of 2-Chloro-4,6-dinitrobenzoic acid?
The molecular weight of 2-Chloro-4,6-dinitrobenzoic acid is 246.56 g/mol.
What is the IUPAC name of 2-Chloro-4,6-dinitrobenzoic acid?
The IUPAC name of 2-Chloro-4,6-dinitrobenzoic acid is 2-chloro-4,6-dinitrobenzoic acid.
What is the Canonical SMILES representation of 2-Chloro-4,6-dinitrobenzoic acid?
The Canonical SMILES representation of 2-Chloro-4,6-dinitrobenzoic acid is C1=C(C=C(C(=C1[N+](=O)[O-])C(=O)O)Cl)[N+](=O)[O-].
How many hydrogen bond acceptors are present in 2-Chloro-4,6-dinitrobenzoic acid?
There are 6 hydrogen bond acceptors present in 2-Chloro-4,6-dinitrobenzoic acid.
What is the exact mass of 2-Chloro-4,6-dinitrobenzoic acid?
The exact mass of 2-Chloro-4,6-dinitrobenzoic acid is 245.9679635 g/mol.
How many rotatable bonds are present in the molecular structure of 2-Chloro-4,6-dinitrobenzoic acid?
There is 1 rotatable bond present in the molecular structure of 2-Chloro-4,6-dinitrobenzoic acid.
Is 2-Chloro-4,6-dinitrobenzoic acid considered a canonicalized compound?
Yes, 2-Chloro-4,6-dinitrobenzoic acid is considered a canonicalized compound.
What is the topological polar surface area of 2-Chloro-4,6-dinitrobenzoic acid?
The topological polar surface area of 2-Chloro-4,6-dinitrobenzoic acid is 129 Å2.
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