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142057-51-0 | Thiophene, 4-bromo-2-ethenyl-
CAS No: 142057-51-0 Catalog No: AG001HNU MDL No:
Product Description
Catalog Number:
AG001HNU
Chemical Name:
Thiophene, 4-bromo-2-ethenyl-
CAS Number:
142057-51-0
Molecular Formula:
C6H5BrS
Molecular Weight:
189.0729
IUPAC Name:
4-bromo-2-ethenylthiophene
InChI:
InChI=1S/C6H5BrS/c1-2-6-3-5(7)4-8-6/h2-4H,1H2
InChI Key:
KMQVMTSAYONIBR-UHFFFAOYSA-N
SMILES:
Brc1cc(sc1)C=C
Properties
Complexity:
92.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.93g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.07g/mol
Monoisotopic Mass:
187.93g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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