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Structure

Sodium 4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]toluene-3-sulfonate

CAS
94199-98-1
Catalog Number
ACM94199981
Category
Other Products
Molecular Weight
357.148350 [g/mol]
Molecular Formula
C10H8Cl2N4O3SNa

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Specification

Synonyms
EINECS 303-475-5, CID11971325, Sodium 4-((4,6-dichloro-1,3,5-triazin-2-yl)amino)toluene-3-sulphonate, 94199-98-1
IUPAC Name
sodium 2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-5-methylbenzenesulfonate
Canonical SMILES
CC1=CC(=C(C=C1)NC2=NC(=NC(=N2)Cl)Cl)S(=O)(=O)[O-].[Na+]
InChI Key
FWMYYRQSLCZOOL-UHFFFAOYSA-M
EC Number
303-475-5
Exact Mass
355.95100
H-Bond Acceptor
7
H-Bond Donor
1
What is the molecular formula of Sodium 4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]toluene-3-sulfonate?

The molecular formula is C10H7Cl2N4NaO3S.

When was Sodium 4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]toluene-3-sulfonate created?

It was created on February 5, 2008.

What is the molecular weight of Sodium 4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]toluene-3-sulfonate?

The molecular weight is 357.15 g/mol.

What is the IUPAC name of Sodium 4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]toluene-3-sulfonate?

The IUPAC name is sodium;2-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-5-methylbenzenesulfonate.

What is the InChIKey of Sodium 4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]toluene-3-sulfonate?

The InChIKey is FWMYYRQSLCZOOL-UHFFFAOYSA-M.

What is the canonical SMILES representation of Sodium 4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]toluene-3-sulfonate?

The canonical SMILES is CC1=CC(=C(C=C1)NC2=NC(=NC(=N2)Cl)Cl)S(=O)(=O)[O-].[Na+].

How many hydrogen bond donor counts does Sodium 4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]toluene-3-sulfonate have?

It has 1 hydrogen bond donor count.

What is the topological polar surface area of Sodium 4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]toluene-3-sulfonate?

The topological polar surface area is 116 Å2.

How many rotatable bond counts does Sodium 4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]toluene-3-sulfonate have?

It has 3 rotatable bond counts.

What is the exact mass of Sodium 4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]toluene-3-sulfonate?

The exact mass is 355.9513609 g/mol.

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