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13545-99-8 | 2(3H)-Benzothiazolone,6-methoxy-3-methyl-, hydrazone
CAS No: 13545-99-8 Catalog No: AG006Z06 MDL No:
Product Description
Catalog Number:
AG006Z06
Chemical Name:
2(3H)-Benzothiazolone,6-methoxy-3-methyl-, hydrazone
CAS Number:
13545-99-8
Molecular Formula:
C9H11N3OS
Molecular Weight:
209.2681
IUPAC Name:
(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)hydrazine
InChI:
InChI=1S/C9H11N3OS/c1-12-7-4-3-6(13-2)5-8(7)14-9(12)11-10/h3-5H,10H2,1-2H3
InChI Key:
QZROAHYPAKJMGP-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)sc(=NN)n2C
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.062g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
209.267g/mol
Monoisotopic Mass:
209.062g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
76.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.8
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