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16411-18-0 | Benzene, 1-bromo-4-(ethenylthio)-
CAS No: 16411-18-0 Catalog No: AG001UNG MDL No:MFCD18916803
Product Description
Catalog Number:
AG001UNG
Chemical Name:
Benzene, 1-bromo-4-(ethenylthio)-
CAS Number:
16411-18-0
Molecular Formula:
C8H7BrS
Molecular Weight:
215.1102
MDL Number:
MFCD18916803
IUPAC Name:
1-bromo-4-ethenylsulfanylbenzene
InChI:
InChI=1S/C8H7BrS/c1-2-10-8-5-3-7(9)4-6-8/h2-6H,1H2
InChI Key:
JYXSWPVIKXRRFN-UHFFFAOYSA-N
SMILES:
C=CSc1ccc(cc1)Br
Properties
Complexity:
106
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.945g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.108g/mol
Monoisotopic Mass:
213.945g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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