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Home > Nitro Compounds > 63285-88-1
63285-88-1 | 5-nitro-1,3-dihydro-2,1-benzothiazol-3-one
CAS No: 63285-88-1 Catalog No: AG01BT0A MDL No:MFCD28364930
Product Description
Catalog Number:
AG01BT0A
Chemical Name:
5-nitro-1,3-dihydro-2,1-benzothiazol-3-one
CAS Number:
63285-88-1
Molecular Formula:
C7H4N2O3S
Molecular Weight:
196.1833
MDL Number:
MFCD28364930
IUPAC Name:
5-nitro-1H-2,1-benzothiazol-3-one
InChI:
InChI=1S/C7H4N2O3S/c10-7-5-3-4(9(11)12)1-2-6(5)8-13-7/h1-3,8H
InChI Key:
MIWVBBNKISUBJZ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)c(=O)s[nH]2
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.994g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
196.18g/mol
Monoisotopic Mass:
195.994g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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