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80945-74-0 | 2(3H)-Benzothiazolone,5-methoxy-,hydrazone(9CI)
CAS No: 80945-74-0 Catalog No: AG00GQVA MDL No:MFCD06809778
Product Description
Catalog Number:
AG00GQVA
Chemical Name:
2(3H)-Benzothiazolone,5-methoxy-,hydrazone(9CI)
CAS Number:
80945-74-0
Molecular Formula:
C8H9N3OS
Molecular Weight:
195.2416
MDL Number:
MFCD06809778
IUPAC Name:
(5-methoxy-1,3-benzothiazol-2-yl)hydrazine
InChI:
InChI=1S/C8H9N3OS/c1-12-5-2-3-7-6(4-5)10-8(11-9)13-7/h2-4H,9H2,1H3,(H,10,11)
InChI Key:
QIVKJRKJMPQOCD-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)nc(s2)NN
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.047g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
195.24g/mol
Monoisotopic Mass:
195.047g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
88.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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