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820101-51-7 | 2-Benzothiazolamine, N-cyclopentyl-7-nitro-
CAS No: 820101-51-7 Catalog No: AG004YUM MDL No:
Product Description
Catalog Number:
AG004YUM
Chemical Name:
2-Benzothiazolamine, N-cyclopentyl-7-nitro-
CAS Number:
820101-51-7
Molecular Formula:
C12H13N3O2S
Molecular Weight:
263.3155
IUPAC Name:
N-cyclopentyl-7-nitro-1,3-benzothiazol-2-amine
InChI:
InChI=1S/C12H13N3O2S/c16-15(17)10-7-3-6-9-11(10)18-12(14-9)13-8-4-1-2-5-8/h3,6-8H,1-2,4-5H2,(H,13,14)
InChI Key:
JXJPGYFDGQXBDN-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc2c1sc(n2)NC1CCCC1
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.073g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
263.315g/mol
Monoisotopic Mass:
263.073g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
99A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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