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Home > Nitro Compounds > 17511-54-5
17511-54-5 | Benzo[b]thiophene, 7-nitro-
CAS No: 17511-54-5 Catalog No: AG00205M MDL No:MFCD01830229
Product Description
Catalog Number:
AG00205M
Chemical Name:
Benzo[b]thiophene, 7-nitro-
CAS Number:
17511-54-5
Molecular Formula:
C8H5NO2S
Molecular Weight:
179.1958
MDL Number:
MFCD01830229
IUPAC Name:
7-nitro-1-benzothiophene
InChI:
InChI=1S/C8H5NO2S/c10-9(11)7-3-1-2-6-4-5-12-8(6)7/h1-5H
InChI Key:
CDGUTXAPQVWGNU-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc2c1scc2
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:
2.8
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