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18184-69-5 | Benzene, 1-bromo-3-(ethylthio)-
CAS No: 18184-69-5 Catalog No: AG00235U MDL No:MFCD10699173
Product Description
Catalog Number:
AG00235U
Chemical Name:
Benzene, 1-bromo-3-(ethylthio)-
CAS Number:
18184-69-5
Molecular Formula:
C8H9BrS
Molecular Weight:
217.1261
MDL Number:
MFCD10699173
IUPAC Name:
1-bromo-3-ethylsulfanylbenzene
InChI:
InChI=1S/C8H9BrS/c1-2-10-8-5-3-4-7(9)6-8/h3-6H,2H2,1H3
InChI Key:
DYKHQTGFDPTFQD-UHFFFAOYSA-N
SMILES:
CCSc1cccc(c1)Br
Properties
Complexity:
95.3
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:
0
Isotope Atom Count:
0
Molecular Weight:
217.124g/mol
Monoisotopic Mass:
215.961g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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