CAS
99500-36-4 Purity
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99500-36-4 Purity
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1,3-Bis(3-aminophenoxy)-5-chlorobenzene dihydrochloride
CAS
99503-73-8
Catalog Number
ACM99503738
Category
Other Products
Molecular Weight
399.70
Molecular Formula
C18H15ClN2O2.2HCl
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Specification
Synonyms
1,3-Bis(3-aminophenoxy)-5-chlorobenzene Dihydrochloride, 99503-73-8, ACMC-209scv, CTK8B2803, ANW-41021, B3550
IUPAC Name
3-[3-(3-aminophenoxy)-5-chlorophenoxy]aniline;dihydrochloride
Canonical SMILES
C1=CC(=CC(=C1)OC2=CC(=CC(=C2)Cl)OC3=CC=CC(=C3)N)N.Cl.Cl
InChI Key
YZUFDVOYHZOIGU-UHFFFAOYSA-N
Exact Mass
398.03600
H-Bond Acceptor
4
H-Bond Donor
4
What is the molecular formula of 1,3-Bis(3-aminophenoxy)-5-chlorobenzene dihydrochloride?
The molecular formula is C18H17Cl3N2O2.
What is the molecular weight of 1,3-Bis(3-aminophenoxy)-5-chlorobenzene dihydrochloride?
The molecular weight is 399.7 g/mol.
What are some synonyms for 1,3-Bis(3-aminophenoxy)-5-chlorobenzene dihydrochloride?
Some synonyms include 99503-73-8, 1,3-Bis(3-aminophenoxy)-5-chlorobenzene diHCl, and DTXSID90659844.
What is the IUPAC name of 1,3-Bis(3-aminophenoxy)-5-chlorobenzene dihydrochloride?
The IUPAC name is 3-[3-(3-aminophenoxy)-5-chlorophenoxy]aniline;dihydrochloride.
What is the Canonical SMILES representation of 1,3-Bis(3-aminophenoxy)-5-chlorobenzene dihydrochloride?
The Canonical SMILES is C1=CC(=CC(=C1)OC2=CC(=CC(=C2)Cl)OC3=CC=CC(=C3)N)N.Cl.Cl.
What is the InChIKey of 1,3-Bis(3-aminophenoxy)-5-chlorobenzene dihydrochloride?
The InChIKey is YZUFDVOYHZOIGU-UHFFFAOYSA-N.
How many hydrogen bond donor counts does 1,3-Bis(3-aminophenoxy)-5-chlorobenzene dihydrochloride have?
It has 4 hydrogen bond donor counts.
What is the topological polar surface area of 1,3-Bis(3-aminophenoxy)-5-chlorobenzene dihydrochloride?
The topological polar surface area is 70.5 Ų.
How many rotatable bond counts does 1,3-Bis(3-aminophenoxy)-5-chlorobenzene dihydrochloride have?
It has 4 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized according to PubChem.
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