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Home > Nitro Compounds > 10133-33-2
10133-33-2 | Benzo[b]thiophene, 2-nitro-
CAS No: 10133-33-2 Catalog No: AG00048S MDL No:MFCD01151382
Product Description
Catalog Number:
AG00048S
Chemical Name:
Benzo[b]thiophene, 2-nitro-
CAS Number:
10133-33-2
Molecular Formula:
C8H5NO2S
Molecular Weight:
179.1958
MDL Number:
MFCD01151382
IUPAC Name:
2-nitro-1-benzothiophene
InChI:
InChI=1S/C8H5NO2S/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5H
InChI Key:
OEEJLOZQSKNWQQ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc2c(s1)cccc2
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:
3.1
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