CAS
9049-58-5 Purity
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9049-58-5 Purity
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Phenol,3-[(5-bromo-2-thiazolyl)oxy]-
CAS
904961-08-6
Catalog Number
ACM904961086
Category
Other Products
Molecular Weight
272.11844
Molecular Formula
C9H6 Br N O2 S
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Specification
Synonyms
3-(5-BROMOTHIAZOL-2-YLOXY)PHENOL
IUPAC Name
3-[(5-bromo-1,3-thiazol-2-yl)oxy]phenol
Canonical SMILES
C1=CC(=CC(=C1)OC2=NC=C(S2)Br)O
InChI Key
HOOYSVYDGWBXRG-UHFFFAOYSA-N
Boiling Point
379.5ºC at 760 mmHg
Flash Point
183.3ºC
Density
1.641 g/cm³
Exact Mass
270.93000
H-Bond Acceptor
4
H-Bond Donor
1
What is the molecular formula of the compound with PubChem CID 53425300?
The molecular formula is C9H6BrNO2S.
What are some synonyms for the compound with PubChem CID 53425300?
Some synonyms include 3-(5-BROMOTHIAZOL-2-YLOXY)PHENOL and 3-((5-Bromothiazol-2-yl)oxy)phenol.
When was the compound with PubChem CID 53425300 created?
It was created on October 30, 2011.
What is the molecular weight of the compound with PubChem CID 53425300?
The molecular weight is 272.12 g/mol.
What is the InChIKey for the compound with PubChem CID 53425300?
The InChIKey is HOOYSVYDGWBXRG-UHFFFAOYSA-N.
How many hydrogen bond donor counts does the compound with PubChem CID 53425300 have?
It has 1 hydrogen bond donor count.
What is the XLogP3-AA value for the compound with PubChem CID 53425300?
The XLogP3-AA value is 3.5.
What is the topological polar surface area of the compound with PubChem CID 53425300?
The topological polar surface area is 70.6 Ų.
Does the compound with PubChem CID 53425300 have any defined atom stereocenters?
No, it has 0 defined atom stereocenters.
Is the compound with PubChem CID 53425300 canonically normalized?
Yes, the compound is canonicalized.
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