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193200-34-9 | 2-Bromo-4-ethylthiophenol
CAS No: 193200-34-9 Catalog No: AG01FFIK MDL No:MFCD18089313
Product Description
Catalog Number:
AG01FFIK
Chemical Name:
2-Bromo-4-ethylthiophenol
CAS Number:
193200-34-9
Molecular Formula:
C8H9BrS
Molecular Weight:
217.1261
MDL Number:
MFCD18089313
IUPAC Name:
2-bromo-4-ethylbenzenethiol
InChI:
InChI=1S/C8H9BrS/c1-2-6-3-4-8(10)7(9)5-6/h3-5,10H,2H2,1H3
InChI Key:
VOLMTDDVWAGZOC-UHFFFAOYSA-N
SMILES:
CCc1ccc(c(c1)Br)S
Properties
Complexity:
105
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.961g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.124g/mol
Monoisotopic Mass:
215.961g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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