CAS
93982-19-5 Purity
96%
93982-19-5 Purity
96%
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4-[[4-[4-Nitrophenyl]anilino]azo]benzenesulfonic acid
CAS
93982-24-2
Catalog Number
ACM93982242
Category
Other Products
Molecular Weight
398.392560 [g/mol]
Molecular Formula
C18H14N4O5S
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Specification
Synonyms
EINECS 301-215-5, CID3022963, 4-((4-(4-Nitrophenyl)anilino)azo)benzenesulphonic acid, 93982-24-2
IUPAC Name
4-[[4-(4-nitrophenyl)anilino]diazenyl]benzenesulfonic acid
Canonical SMILES
C1=CC(=CC=C1C2=CC=C(C=C2)[N+](=O)[O-])NN=NC3=CC=C(C=C3)S(=O)(=O)O
InChI Key
IPLYAPIYHAUZLV-UHFFFAOYSA-N
Density
1.45g/cm³
EC Number
301-215-5
Exact Mass
398.06800
H-Bond Acceptor
8
H-Bond Donor
2
What is the molecular formula of the compound?
The molecular formula of the compound is C18H14N4O5S.
When was the compound created and last modified?
The compound was created on August 8, 2005, and last modified on December 30, 2023.
What is the molecular weight of the compound?
The molecular weight of the compound is 398.4 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 4-[[4-(4-nitrophenyl)anilino]diazenyl]benzenesulfonic acid.
What is the InChI key of the compound?
The InChI key of the compound is IPLYAPIYHAUZLV-UHFFFAOYSA-N.
How many hydrogen bond donor counts does the compound have?
The compound has 2 hydrogen bond donor counts.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 4.2.
How many heavy atoms are present in the compound?
There are 28 heavy atoms present in the compound.
What is the topological polar surface area of the compound?
The topological polar surface area of the compound is 145 Ų.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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CAS
93982-27-5 Purity
96%
93982-27-5 Purity
96%
