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16439-93-3 | Pyridine, 4-(5-bromo-1,3,4-thiadiazol-2-yl)-
CAS No: 16439-93-3 Catalog No: AG001UV1 MDL No:
Product Description
Catalog Number:
AG001UV1
Chemical Name:
Pyridine, 4-(5-bromo-1,3,4-thiadiazol-2-yl)-
CAS Number:
16439-93-3
Molecular Formula:
C7H4BrN3S
Molecular Weight:
242.0958
IUPAC Name:
2-bromo-5-pyridin-4-yl-1,3,4-thiadiazole
InChI:
InChI=1S/C7H4BrN3S/c8-7-11-10-6(12-7)5-1-3-9-4-2-5/h1-4H
InChI Key:
KAUUGBWNSHNIAV-UHFFFAOYSA-N
SMILES:
Brc1nnc(s1)c1ccncc1
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.931g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.094g/mol
Monoisotopic Mass:
240.931g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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