CAS
850349-72-3 Purity
96%
850349-72-3 Purity
96%
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5-(Bromomethyl)-1,2,3-benzothiadiazole
CAS
850375-03-0
Catalog Number
ACM850375030
Category
Bromine Series
Molecular Weight
229.1
Molecular Formula
C7H5BrN2S
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Specification
Synonyms
5-(BROMOMETHYL)-1,2,3-BENZOTHIADIAZOLE
What is the molecular formula of the compound?
The molecular formula is C7H5BrN2S.
When was the compound created?
The compound was created on July 19, 2005.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 5-(bromomethyl)-1,2,3-benzothiadiazole.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C7H5BrN2S/c8-4-5-1-2-7-6(3-5)9-10-11-7/h1-3H,4H2.
What is the InChIKey of the compound?
The InChIKey of the compound is NFVHCHHMBKMINT-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is C1=CC2=C(C=C1CBr)N=NS2.
What is the molecular weight of the compound?
The molecular weight of the compound is 229.10 g/mol.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 2.4.
How many hydrogen bond donor counts does the compound have?
The compound has 0 hydrogen bond donor count.
How many hydrogen bond acceptor counts does the compound have?
The compound has 3 hydrogen bond acceptor counts.
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