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Home > Nitro Compounds > 2942-08-7
2942-08-7 | Benzothiazole, 4-nitro- (6CI,7CI,8CI,9CI)
CAS No: 2942-08-7 Catalog No: AG002YC0 MDL No:MFCD00022885
Product Description
Catalog Number:
AG002YC0
Chemical Name:
Benzothiazole, 4-nitro- (6CI,7CI,8CI,9CI)
CAS Number:
2942-08-7
Molecular Formula:
C7H4N2O2S
Molecular Weight:
180.1839
MDL Number:
MFCD00022885
IUPAC Name:
4-nitro-1,3-benzothiazole
InChI:
InChI=1S/C7H4N2O2S/c10-9(11)5-2-1-3-6-7(5)8-4-12-6/h1-4H
InChI Key:
HTEFJELLZLFAQE-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc2c1ncs2
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.999g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.181g/mol
Monoisotopic Mass:
179.999g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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