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1708080-45-8 | 1-(CYCLOPROPYLMETHYL)-1H-2,1-BENZOTHIAZIN-4(3H)-ONE 2,2-DIOXIDE
CAS No: 1708080-45-8 Catalog No: AG01C6CG MDL No:MFCD26382691
Product Description
Catalog Number:
AG01C6CG
Chemical Name:
1-(CYCLOPROPYLMETHYL)-1H-2,1-BENZOTHIAZIN-4(3H)-ONE 2,2-DIOXIDE
CAS Number:
1708080-45-8
MDL Number:
MFCD26382691
IUPAC Name:
1-(cyclopropylmethyl)-2,2-dioxo-2λ6,1-benzothiazin-4-one
InChI:
InChI=1S/C12H13NO3S/c14-12-8-17(15,16)13(7-9-5-6-9)11-4-2-1-3-10(11)12/h1-4,9H,5-8H2
InChI Key:
LRWQVSRFWFCMNK-UHFFFAOYSA-N
Properties
Complexity:
422
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.062g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.3g/mol
Monoisotopic Mass:
251.062g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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