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Home > Fluorides > 122895-36-7
122895-36-7 | Benzene, [3-fluoro-2-(methylthio)propyl]-
CAS No: 122895-36-7 Catalog No: AG000JQR MDL No:
Product Description
Catalog Number:
AG000JQR
Chemical Name:
Benzene, [3-fluoro-2-(methylthio)propyl]-
CAS Number:
122895-36-7
Molecular Formula:
C10H13FS
Molecular Weight:
184.2736
IUPAC Name:
(3-fluoro-2-methylsulfanylpropyl)benzene
InChI:
InChI=1S/C10H13FS/c1-12-10(8-11)7-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3
InChI Key:
IOPZEMMBMNLRIS-UHFFFAOYSA-N
SMILES:
FCC(Cc1ccccc1)SC
Properties
Complexity:
110
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.072g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.272g/mol
Monoisotopic Mass:
184.072g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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