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104121-70-2 | Carbamic acid,(3-methoxy-1,2-benzisothiazol-7-yl)-, ethyl ester (9CI)
CAS No: 104121-70-2 Catalog No: AG007WJ3 MDL No:
Product Description
Catalog Number:
AG007WJ3
Chemical Name:
Carbamic acid,(3-methoxy-1,2-benzisothiazol-7-yl)-, ethyl ester (9CI)
CAS Number:
104121-70-2
Molecular Formula:
C11H11N2O3S-
Molecular Weight:
251.2816
IUPAC Name:
N-ethyl-N-(3-methoxy-1,2-benzothiazol-7-yl)carbamate
InChI:
InChI=1S/C11H12N2O3S/c1-3-13(11(14)15)8-6-4-5-7-9(8)17-12-10(7)16-2/h4-6H,3H2,1-2H3,(H,14,15)/p-1
InChI Key:
LODMKBSOCLGJQC-UHFFFAOYSA-M
SMILES:
CCN(c1cccc2c1snc2OC)C(=O)[O-]
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.049g/mol
Formal Charge:
-1
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.28g/mol
Monoisotopic Mass:
251.049g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
93.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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