CAS
93920-37-7 Purity
96%
93920-37-7 Purity
96%
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2,5-Dichloro-4-[4-[(2-chlorophenyl)azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonic acid
CAS
93920-40-2
Catalog Number
ACM93920402
Category
Other Products
Molecular Weight
461.706940 [g/mol]
Molecular Formula
C16H11Cl3N4O4S
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Specification
Synonyms
EINECS 300-126-9, CID3022936, 2,5-Dichloro-4-(4-((2-chlorophenyl)azo)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonic acid, 93920-40-2
IUPAC Name
2,5-dichloro-4-[4-[(2-chlorophenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid
Canonical SMILES
CC1=NN(C(=O)C1N=NC2=CC=CC=C2Cl)C3=CC(=C(C=C3Cl)S(=O)(=O)O)Cl
InChI Key
MLABKJBGEAOKTC-UHFFFAOYSA-N
Density
1.7g/cm³
EC Number
300-126-9
Exact Mass
459.95700
H-Bond Acceptor
7
H-Bond Donor
1
What is the molecular formula of 2,5-Dichloro-4-[4-[(2-chlorophenyl)azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonic acid?
The molecular formula is C16H11Cl3N4O4S.
What is the molecular weight of the compound?
The molecular weight is 461.7 g/mol.
How many hydrogen bond donor counts are present in the compound?
There is 1 hydrogen bond donor count in the compound.
What is the exact mass of the compound?
The exact mass is 459.956659 g/mol.
How many hydrogen bond acceptor counts are present in the compound?
There are 7 hydrogen bond acceptor counts in the compound.
How many rotatable bond counts does the compound have?
The compound has 4 rotatable bond counts.
What is the topological polar surface area of the compound?
The topological polar surface area is 120 2.
How many heavy atom counts are present in the compound?
There are 28 heavy atom counts in the compound.
Is the compound canonicalized?
Yes, the compound is canonicalized.
What is the InChIKey of the compound?
The InChIKey is MLABKJBGEAOKTC-UHFFFAOYSA-N.
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