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13096-19-0 | 3-Pyridinecarboxamide, 4-[(2-bromoethyl)thio]-
CAS No: 13096-19-0 Catalog No: AG000V6K MDL No:
Product Description
Catalog Number:
AG000V6K
Chemical Name:
3-Pyridinecarboxamide, 4-[(2-bromoethyl)thio]-
CAS Number:
13096-19-0
Molecular Formula:
C8H9BrN2OS
Molecular Weight:
261.1389
IUPAC Name:
4-(2-bromoethylsulfanyl)pyridine-3-carboxamide
InChI:
InChI=1S/C8H9BrN2OS/c9-2-4-13-7-1-3-11-5-6(7)8(10)12/h1,3,5H,2,4H2,(H2,10,12)
InChI Key:
UNFBHTHXLRSKOD-UHFFFAOYSA-N
SMILES:
BrCCSc1ccncc1C(=O)N
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.962g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.137g/mol
Monoisotopic Mass:
259.962g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
81.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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