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89536-43-6 | Benzo[b]thiophene, 6-azido-2,3-dihydro-
CAS No: 89536-43-6 Catalog No: AG003Z0U MDL No:
Product Description
Catalog Number:
AG003Z0U
Chemical Name:
Benzo[b]thiophene, 6-azido-2,3-dihydro-
CAS Number:
89536-43-6
Molecular Formula:
C8H7N3S
Molecular Weight:
177.2263
IUPAC Name:
6-azido-2,3-dihydro-1-benzothiophene
InChI:
InChI=1S/C8H7N3S/c9-11-10-7-2-1-6-3-4-12-8(6)5-7/h1-2,5H,3-4H2
InChI Key:
UNQAMSGTQAJWPH-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=Nc1ccc2c(c1)SCC2
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.036g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.225g/mol
Monoisotopic Mass:
177.036g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
39.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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