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114109-20-5 | Benzothiazole, 2,3-dihydro-3-methyl-2-(phenoxymethylene)-
CAS No: 114109-20-5 Catalog No: AG000ALT MDL No:
Product Description
Catalog Number:
AG000ALT
Chemical Name:
Benzothiazole, 2,3-dihydro-3-methyl-2-(phenoxymethylene)-
CAS Number:
114109-20-5
Molecular Formula:
C15H13NOS
Molecular Weight:
255.3348
IUPAC Name:
3-methyl-2-(phenoxymethylidene)-1,3-benzothiazole
InChI:
InChI=1S/C15H13NOS/c1-16-13-9-5-6-10-14(13)18-15(16)11-17-12-7-3-2-4-8-12/h2-11H,1H3
InChI Key:
PUBTWNNLKLYGSY-UHFFFAOYSA-N
SMILES:
Cn1c(=COc2ccccc2)sc2c1cccc2
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.072g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.335g/mol
Monoisotopic Mass:
255.072g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.1
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