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Home > Bromides > 1002355-97-6
1002355-97-6 | Pyridine, 3-bromo-5-(4-isothiazolyl)-
CAS No: 1002355-97-6 Catalog No: AG0001BG MDL No:
Product Description
Catalog Number:
AG0001BG
Chemical Name:
Pyridine, 3-bromo-5-(4-isothiazolyl)-
CAS Number:
1002355-97-6
Molecular Formula:
C8H5BrN2S
Molecular Weight:
241.1077
IUPAC Name:
4-(5-bromopyridin-3-yl)-1,2-thiazole
InChI:
InChI=1S/C8H5BrN2S/c9-8-1-6(2-10-4-8)7-3-11-12-5-7/h1-5H
InChI Key:
QJLRPRZVUXWVFV-UHFFFAOYSA-N
SMILES:
Brc1cncc(c1)c1csnc1
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.936g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.106g/mol
Monoisotopic Mass:
239.936g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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