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Structure

4-[[[(3,4-Dichlorophenyl)amino]carbonyl]amino]-N,N,N-trimethylanilinium methyl sulfate

CAS
93777-84-5
Catalog Number
ACM93777845
Category
Other Products
Molecular Weight
450.336740 [g/mol]
Molecular Formula
C16H18Cl2N3O.CH3O4S

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Specification

Synonyms
EINECS 298-116-1, CID5744125, 4-((((3,4-Dichlorophenyl)amino)carbonyl)amino)-N,N,N-trimethylanilinium methyl sulphate, 93777-84-5
IUPAC Name
[4-[(3,4-dichlorophenyl)carbamoylamino]phenyl]-trimethylazanium; methyl sulfate
Canonical SMILES
C[N+](C)(C)C1=CC=C(C=C1)NC(=O)NC2=CC(=C(C=C2)Cl)Cl.COS(=O)(=O)[O-]
InChI Key
WXQQPYXFJSTNRG-UHFFFAOYSA-N
EC Number
298-116-1
Exact Mass
449.05800
H-Bond Acceptor
5
H-Bond Donor
2
What is the IUPAC name of the compound?

[4-[(3,4-dichlorophenyl)carbamoylamino]phenyl]-trimethylazanium;methyl sulfate

What is the molecular weight of the compound?

450.3 g/mol

What is the CAS number of the compound?

93777-84-5

How many hydrogen bond donor counts does the compound have?

2

How many hydrogen bond acceptor counts does the compound have?

5

How many rotatable bond counts does the compound have?

3

What is the exact mass of the compound?

449.0578973 g/mol

What is the topological polar surface area of the compound?

116 ?^2

How many heavy atoms does the compound have?

28

Is the compound canonicalized?

Yes

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