CAS
94087-22-6 Purity
96%
94087-22-6 Purity
96%
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2-(1,2-Benzisothiazol-3-yloxy)acetamide
CAS
94087-28-2
Catalog Number
ACM94087282
Category
Other Products
Molecular Weight
208.23702
Molecular Formula
C9H8N2O2S
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Specification
Synonyms
EINECS 301-921-3, 2-(1,2-Benzisothiazol-3-yloxy)acetamide, 94087-28-2
IUPAC Name
2-(1,2-benzothiazol-3-yloxy)acetamide
Canonical SMILES
C1=CC=C2C(=C1)C(=NS2)OCC(=O)N
InChI Key
RVOTWSQZXVMKPD-UHFFFAOYSA-N
Boiling Point
361.4ºC at 760mmHg
Flash Point
172.4ºC
Density
1.411g/cm³
EC Number
301-921-3
Exact Mass
208.03100
H-Bond Acceptor
3
H-Bond Donor
1
What is the molecular formula of the compound?
The molecular formula of the compound is C9H8N2O2S.
What is the molecular weight of the compound?
The molecular weight of the compound is 208.24 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 2-(1,2-benzothiazol-3-yloxy)acetamide.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C9H8N2O2S/c10-8(12)5-13-9-6-3-1-2-4-7(6)14-11-9/h1-4H,5H2,(H2,10,12).
What is the InChIKey of the compound?
The InChIKey of the compound is RVOTWSQZXVMKPD-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is C1=CC=C2C(=C1)C(=NS2)OCC(=O)N.
What is the CAS number of the compound?
The CAS number of the compound is 94087-28-2.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 1.6.
How many hydrogen bond donor counts does the compound have?
The compound has 1 hydrogen bond donor count.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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