CAS
904813-64-5 Purity
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904813-64-5 Purity
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2-(2-Benzothiazolyl)-5-bromophenol
CAS
90481-37-1
Catalog Number
ACM90481371
Category
Other Products
Molecular Weight
306.177720 [g/mol]
Molecular Formula
C13H8BrNOS
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Specification
Synonyms
2-(Benzo[d]thiazol-2-yl)-5-bromophenol, SCHEMBL7197401, 90481-37-1, 2-(2-benzothiazolyl)-5-bromoPhenol, AKOS011053525, DB-078691
IUPAC Name
(6Z)-6-(3H-1,3-benzothiazol-2-ylidene)-3-bromocyclohexa-2,4-dien-1-one
InChI Key
PCTVLXPUZRRGNO-LCYFTJDESA-N
Exact Mass
304.95100
H-Bond Acceptor
3
H-Bond Donor
1
What is the molecular formula of 2-(2-Benzothiazolyl)-5-bromophenol?
The molecular formula is C13H8BrNOS.
When was the compound created and last modified?
The compound was created on January 16, 2019, and last modified on December 30, 2023.
What is the IUPAC name of 2-(2-Benzothiazolyl)-5-bromophenol?
The IUPAC name is 2-(1,3-benzothiazol-2-yl)-5-bromophenol.
What is the InChI of the compound?
The InChI is InChI=1S/C13H8BrNOS/c14-8-5-6-9(11(16)7-8)13-15-10-3-1-2-4-12(10)17-13/h1-7,16H.
What is the InChIKey of the compound?
The InChIKey is NCUJNZPUOAJMOR-UHFFFAOYSA-N.
What is the Canonical SMILES of the compound?
The Canonical SMILES is C1=CC=C2C(=C1)N=C(S2)C3=C(C=C(C=C3)Br)O.
What is the molecular weight of 2-(2-Benzothiazolyl)-5-bromophenol?
The molecular weight is 306.18 g/mol.
How many hydrogen bond donor counts does the compound have?
The compound has 1 hydrogen bond donor count.
How many hydrogen bond acceptor counts does the compound have?
The compound has 3 hydrogen bond acceptor counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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904813-76-9 Purity
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