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832697-56-0 | Thieno[3,2-c]pyridin-4(5H)-one, 3-bromo-7-methyl-
CAS No: 832697-56-0 Catalog No: AG004YCZ MDL No:
Product Description
Catalog Number:
AG004YCZ
Chemical Name:
Thieno[3,2-c]pyridin-4(5H)-one, 3-bromo-7-methyl-
CAS Number:
832697-56-0
Molecular Formula:
C8H6BrNOS
Molecular Weight:
244.1083
IUPAC Name:
3-bromo-7-methyl-5H-thieno[3,2-c]pyridin-4-one
InChI:
InChI=1S/C8H6BrNOS/c1-4-2-10-8(11)6-5(9)3-12-7(4)6/h2-3H,1H3,(H,10,11)
InChI Key:
AGIMSZPQFJLZNO-UHFFFAOYSA-N
SMILES:
Brc1csc2c1c(=O)[nH]cc2C
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.935g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
244.106g/mol
Monoisotopic Mass:
242.935g/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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