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157764-14-2

157764-14-2 | 2-Benzothiazoleacetonitrile,5-methoxy-(9CI)

CAS No: 157764-14-2 Catalog No: AG00AUYM MDL No:

Product Description

Catalog Number:
AG00AUYM
Chemical Name:
2-Benzothiazoleacetonitrile,5-methoxy-(9CI)
CAS Number:
157764-14-2
IUPAC Name:
2-(5-methoxy-1,3-benzothiazol-2-yl)acetonitrile
InChI:
InChI=1S/C10H8N2OS/c1-13-7-2-3-9-8(6-7)12-10(14-9)4-5-11/h2-3,6H,4H2,1H3
InChI Key:
YSXKBDUITYKTJJ-UHFFFAOYSA-N

Properties

Complexity:
250  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.036g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.247g/mol
Monoisotopic Mass:
204.036g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
74.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  

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