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126772-94-9 | Acetamide, 2-cyano-2-(3-methyl-2(3H)-benzothiazolylidene)- (9CI)
CAS No: 126772-94-9 Catalog No: AG00A1OY MDL No:
Product Description
Catalog Number:
AG00A1OY
Chemical Name:
Acetamide, 2-cyano-2-(3-methyl-2(3H)-benzothiazolylidene)- (9CI)
CAS Number:
126772-94-9
IUPAC Name:
(2Z)-2-cyano-2-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide
InChI:
InChI=1S/C11H9N3OS/c1-14-8-4-2-3-5-9(8)16-11(14)7(6-12)10(13)15/h2-5H,1H3,(H2,13,15)/b11-7-
InChI Key:
VZLJDOJKVXNZOJ-XFFZJAGNSA-N
Properties
Complexity:
395
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
231.047g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
231.273g/mol
Monoisotopic Mass:
231.047g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
95.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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