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799293-83-7 | 3-Bromothieno[3,2-c]pyridin-4(5H);-one
CAS No: 799293-83-7 Catalog No: AG004Z91 MDL No:MFCD14706352
Product Description
Catalog Number:
AG004Z91
Chemical Name:
3-Bromothieno[3,2-c]pyridin-4(5H);-one
CAS Number:
799293-83-7
Molecular Formula:
C7H4BrNOS
Molecular Weight:
230.0818
MDL Number:
MFCD14706352
IUPAC Name:
3-bromo-5H-thieno[3,2-c]pyridin-4-one
InChI:
InChI=1S/C7H4BrNOS/c8-4-3-11-5-1-2-9-7(10)6(4)5/h1-3H,(H,9,10)
InChI Key:
AMWQWPCIUPRUFH-UHFFFAOYSA-N
SMILES:
Brc1csc2c1c(=O)[nH]cc2
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.92g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.079g/mol
Monoisotopic Mass:
228.92g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
57.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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