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832694-76-5 | Thieno[3,2-c]pyridin-4(5H)-one, 3-bromo-2-methyl-7-nitro-
CAS No: 832694-76-5 Catalog No: AG004YD6 MDL No:
Product Description
Catalog Number:
AG004YD6
Chemical Name:
Thieno[3,2-c]pyridin-4(5H)-one, 3-bromo-2-methyl-7-nitro-
CAS Number:
832694-76-5
Molecular Formula:
C8H5BrN2O3S
Molecular Weight:
289.1059
IUPAC Name:
3-bromo-2-methyl-7-nitro-5H-thieno[3,2-c]pyridin-4-one
InChI:
InChI=1S/C8H5BrN2O3S/c1-3-6(9)5-7(15-3)4(11(13)14)2-10-8(5)12/h2H,1H3,(H,10,12)
InChI Key:
UWIYXHYAFVRXAK-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c[nH]c(=O)c2c1sc(c2Br)C
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.92g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
289.103g/mol
Monoisotopic Mass:
287.92g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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