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104121-54-2 | Carbamic acid,1,2-benzisothiazol-3-yl-, ethyl ester (9CI)
CAS No: 104121-54-2 Catalog No: AG007WJ7 MDL No:
Product Description
Catalog Number:
AG007WJ7
Chemical Name:
Carbamic acid,1,2-benzisothiazol-3-yl-, ethyl ester (9CI)
CAS Number:
104121-54-2
Molecular Formula:
C10H10N2O2S
Molecular Weight:
222.2636
IUPAC Name:
ethyl N-(1,2-benzothiazol-3-yl)carbamate
InChI:
InChI=1S/C10H10N2O2S/c1-2-14-10(13)11-9-7-5-3-4-6-8(7)15-12-9/h3-6H,2H2,1H3,(H,11,12,13)
InChI Key:
XNYFYVLXYRSCPX-UHFFFAOYSA-N
SMILES:
CCOC(=O)Nc1nsc2c1cccc2
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.046g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.262g/mol
Monoisotopic Mass:
222.046g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
79.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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