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209260-74-2 | Thiazole, 4-bromo-2-ethenyl-
CAS No: 209260-74-2 Catalog No: AG002K5C MDL No:
Product Description
Catalog Number:
AG002K5C
Chemical Name:
Thiazole, 4-bromo-2-ethenyl-
CAS Number:
209260-74-2
Molecular Formula:
C5H4BrNS
Molecular Weight:
190.0610
IUPAC Name:
4-bromo-2-ethenyl-1,3-thiazole
InChI:
InChI=1S/C5H4BrNS/c1-2-5-7-4(6)3-8-5/h2-3H,1H2
InChI Key:
BTJROFVTZZAMMK-UHFFFAOYSA-N
SMILES:
Brc1csc(n1)C=C
Properties
Complexity:
96.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.925g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.058g/mol
Monoisotopic Mass:
188.925g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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