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Home > Nitro Compounds > 88791-13-3
88791-13-3 | Benzo[b]thiophene, 7-methoxy-4-nitro-
CAS No: 88791-13-3 Catalog No: AG004CYE MDL No:
Product Description
Catalog Number:
AG004CYE
Chemical Name:
Benzo[b]thiophene, 7-methoxy-4-nitro-
CAS Number:
88791-13-3
Molecular Formula:
C9H7NO3S
Molecular Weight:
209.2218
IUPAC Name:
7-methoxy-4-nitro-1-benzothiophene
InChI:
InChI=1S/C9H7NO3S/c1-13-8-3-2-7(10(11)12)6-4-5-14-9(6)8/h2-5H,1H3
InChI Key:
JLARLYIYTTWYSY-UHFFFAOYSA-N
SMILES:
COc1ccc(c2c1scc2)[N+](=O)[O-]
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.015g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.219g/mol
Monoisotopic Mass:
209.015g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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