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Home > Fluorides > 1173006-35-3
1173006-35-3 | 4-Fluoro-2-methoxyphenyl methyl sulfide
CAS No: 1173006-35-3 Catalog No: AG01DNO0 MDL No:MFCD11617785
Product Description
Catalog Number:
AG01DNO0
Chemical Name:
4-Fluoro-2-methoxyphenyl methyl sulfide
CAS Number:
1173006-35-3
Molecular Formula:
C8H9FOS
Molecular Weight:
172.2199
MDL Number:
MFCD11617785
IUPAC Name:
4-fluoro-2-methoxy-1-methylsulfanylbenzene
InChI:
InChI=1S/C8H9FOS/c1-10-7-5-6(9)3-4-8(7)11-2/h3-5H,1-2H3
InChI Key:
CAFMKYVGVGBVIG-UHFFFAOYSA-N
SMILES:
COc1cc(F)ccc1SC
Properties
Complexity:
121
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.036g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.217g/mol
Monoisotopic Mass:
172.036g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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