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51542-41-7 | 2-Benzothiazoleacetamide(9CI)
CAS No: 51542-41-7 Catalog No: AG00DJ0W MDL No:MFCD10566519
Product Description
Catalog Number:
AG00DJ0W
Chemical Name:
2-Benzothiazoleacetamide(9CI)
CAS Number:
51542-41-7
Molecular Formula:
C9H8N2OS
Molecular Weight:
192.2376
MDL Number:
MFCD10566519
IUPAC Name:
2-(1,3-benzothiazol-2-yl)acetamide
InChI:
InChI=1S/C9H8N2OS/c10-8(12)5-9-11-6-3-1-2-4-7(6)13-9/h1-4H,5H2,(H2,10,12)
InChI Key:
SIMWFXSMDQBKED-UHFFFAOYSA-N
SMILES:
NC(=O)Cc1nc2c(s1)cccc2
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.036g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
192.236g/mol
Monoisotopic Mass:
192.036g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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