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832694-79-8 | Thieno[3,2-c]pyridin-4-amine, 3-bromo-2-methyl-7-nitro-
CAS No: 832694-79-8 Catalog No: AG004YD5 MDL No:
Product Description
Catalog Number:
AG004YD5
Chemical Name:
Thieno[3,2-c]pyridin-4-amine, 3-bromo-2-methyl-7-nitro-
CAS Number:
832694-79-8
Molecular Formula:
C8H6BrN3O2S
Molecular Weight:
288.1211
IUPAC Name:
3-bromo-2-methyl-7-nitrothieno[3,2-c]pyridin-4-amine
InChI:
InChI=1S/C8H6BrN3O2S/c1-3-6(9)5-7(15-3)4(12(13)14)2-11-8(5)10/h2H,1H3,(H2,10,11)
InChI Key:
CQLZUJGQRJGOFV-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cnc(c2c1sc(c2Br)C)N
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.936g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
288.119g/mol
Monoisotopic Mass:
286.936g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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