CAS
96919-49-2 Purity
96%
96919-49-2 Purity
96%
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6-Chloro-5-nitrotoluene-3-sulfonic acid
CAS
96-92-4
Catalog Number
ACM96924
Category
Other Products
Molecular Weight
251.644240 [g/mol]
Molecular Formula
C7H6ClNO5S
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Specification
Synonyms
NCIOpen2_002276, CID66792, NSC60113, EINECS 202-545-1, 6-Chloro-5-nitrotoluene-3-sulphonic acid, 96-92-4
IUPAC Name
4-chloro-3-methyl-5-nitrobenzenesulfonic acid
SMILES
CC1=CC(=CC(=C1Cl)[N+](=O)[O-])S(=O)(=O)O
InChI Key
OJTXHPQIEJMIJY-UHFFFAOYSA-N
EC Number
202-545-1
H-Bond Acceptor
5
H-Bond Donor
1
What is the molecular formula of 6-Chloro-5-nitrotoluene-3-sulfonic acid?
The molecular formula is C7H6ClNO5S.
When was the PubChem CID created for 6-Chloro-5-nitrotoluene-3-sulfonic acid?
The PubChem CID was created on March 26, 2005.
What is the IUPAC name of 6-Chloro-5-nitrotoluene-3-sulfonic acid?
The IUPAC name is 4-chloro-3-methyl-5-nitrobenzenesulfonic acid.
What is the molecular weight of 6-Chloro-5-nitrotoluene-3-sulfonic acid?
The molecular weight is 251.64 g/mol.
What is the InChIKey of 6-Chloro-5-nitrotoluene-3-sulfonic acid?
The InChIKey is OJTXHPQIEJMIJY-UHFFFAOYSA-N.
How many hydrogen bond donor counts does 6-Chloro-5-nitrotoluene-3-sulfonic acid have?
It has 1 hydrogen bond donor count.
What is the exact mass of 6-Chloro-5-nitrotoluene-3-sulfonic acid?
The exact mass is 250.9655212 g/mol.
How many heavy atoms are present in 6-Chloro-5-nitrotoluene-3-sulfonic acid?
6-Chloro-5-nitrotoluene-3-sulfonic acid has 15 heavy atoms.
Is 6-Chloro-5-nitrotoluene-3-sulfonic acid a canonical compound?
Yes, it is a canonicalized compound.
What is the topological polar surface area of 6-Chloro-5-nitrotoluene-3-sulfonic acid?
The topological polar surface area is 109 Å2.
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