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820101-08-4 | 2-Benzothiazolamine, N-methyl-7-nitro-
CAS No: 820101-08-4 Catalog No: AG004YUP MDL No:
Product Description
Catalog Number:
AG004YUP
Chemical Name:
2-Benzothiazolamine, N-methyl-7-nitro-
CAS Number:
820101-08-4
Molecular Formula:
C8H7N3O2S
Molecular Weight:
209.2251
IUPAC Name:
N-methyl-7-nitro-1,3-benzothiazol-2-amine
InChI:
InChI=1S/C8H7N3O2S/c1-9-8-10-5-3-2-4-6(11(12)13)7(5)14-8/h2-4H,1H3,(H,9,10)
InChI Key:
PSSDDBUYOZDSMU-UHFFFAOYSA-N
SMILES:
CNc1nc2c(s1)c(ccc2)[N+](=O)[O-]
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.026g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
209.223g/mol
Monoisotopic Mass:
209.026g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
99A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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