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4299-07-4 | 2-Butyl-1,2-benzisothiazolin-3-one
CAS No: 4299-07-4 Catalog No: AG0039XK MDL No:MFCD09751282
Product Description
Catalog Number:
AG0039XK
Chemical Name:
2-Butyl-1,2-benzisothiazolin-3-one
CAS Number:
4299-07-4
Molecular Formula:
C11H13NOS
Molecular Weight:
207.2920
MDL Number:
MFCD09751282
IUPAC Name:
2-butyl-1,2-benzothiazol-3-one
InChI:
InChI=1S/C11H13NOS/c1-2-3-8-12-11(13)9-6-4-5-7-10(9)14-12/h4-7H,2-3,8H2,1H3
InChI Key:
LUYIHWDYPAZCNN-UHFFFAOYSA-N
SMILES:
CCCCn1sc2c(c1=O)cccc2
EC Number:
420-590-7
UNII:
7PK26VAT4Q
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.072g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.291g/mol
Monoisotopic Mass:
207.072g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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