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21344-51-4 | 2-Benzothiazolepropanenitrile(9CI)
CAS No: 21344-51-4 Catalog No: AG00BLW5 MDL No:
Product Description
Catalog Number:
AG00BLW5
Chemical Name:
2-Benzothiazolepropanenitrile(9CI)
CAS Number:
21344-51-4
IUPAC Name:
3-(1,3-benzothiazol-2-yl)propanenitrile
InChI:
InChI=1S/C10H8N2S/c11-7-3-6-10-12-8-4-1-2-5-9(8)13-10/h1-2,4-5H,3,6H2
InChI Key:
ZYXYMEZEZFQOAK-UHFFFAOYSA-N
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.041g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.248g/mol
Monoisotopic Mass:
188.041g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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