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1423-61-6 | Benzo[b]thiophene, 7-bromo-
CAS No: 1423-61-6 Catalog No: AG001I5E MDL No:MFCD06657729
Product Description
Catalog Number:
AG001I5E
Chemical Name:
Benzo[b]thiophene, 7-bromo-
CAS Number:
1423-61-6
Molecular Formula:
C8H5BrS
Molecular Weight:
213.0943
MDL Number:
MFCD06657729
IUPAC Name:
7-bromo-1-benzothiophene
InChI:
InChI=1S/C8H5BrS/c9-7-3-1-2-6-4-5-10-8(6)7/h1-5H
InChI Key:
NOICDPBEDNMHQK-UHFFFAOYSA-N
SMILES:
Brc1cccc2c1scc2
Properties
Complexity:
126
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.93g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.092g/mol
Monoisotopic Mass:
211.93g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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