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Home > Nitro Compounds > 17402-80-1
17402-80-1 | Benzo[b]thiophene, 3-nitro-
CAS No: 17402-80-1 Catalog No: AG001ZEU MDL No:MFCD00456545
Product Description
Catalog Number:
AG001ZEU
Chemical Name:
Benzo[b]thiophene, 3-nitro-
CAS Number:
17402-80-1
Molecular Formula:
C8H5NO2S
Molecular Weight:
179.1958
MDL Number:
MFCD00456545
IUPAC Name:
3-nitro-1-benzothiophene
InChI:
InChI=1S/C8H5NO2S/c10-9(11)7-5-12-8-4-2-1-3-6(7)8/h1-5H
InChI Key:
PIZRWAZBFNMVMW-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1csc2c1cccc2
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.004g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.193g/mol
Monoisotopic Mass:
179.004g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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