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1257854-58-2 | Thieno[3,2-c]pyridine, 3-bromo-4,5,6,7-tetrahydro-
CAS No: 1257854-58-2 Catalog No: AG000OQA MDL No:
Product Description
Catalog Number:
AG000OQA
Chemical Name:
Thieno[3,2-c]pyridine, 3-bromo-4,5,6,7-tetrahydro-
CAS Number:
1257854-58-2
Molecular Formula:
C7H8BrNS
Molecular Weight:
218.1141
IUPAC Name:
3-bromo-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
InChI:
InChI=1S/C7H8BrNS/c8-6-4-10-7-1-2-9-3-5(6)7/h4,9H,1-3H2
InChI Key:
VBORXZYXDFANMX-UHFFFAOYSA-N
SMILES:
Brc1csc2c1CNCC2
Properties
Complexity:
131
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.956g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.112g/mol
Monoisotopic Mass:
216.956g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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