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Home > Fluorides > 1379317-09-5
1379317-09-5 | 3,5-difluoro-2-propoxybenzene-1-thiol
CAS No: 1379317-09-5 Catalog No: AG00OMRJ MDL No:MFCD18426887
Product Description
Catalog Number:
AG00OMRJ
Chemical Name:
3,5-difluoro-2-propoxybenzene-1-thiol
CAS Number:
1379317-09-5
Molecular Formula:
C9H10F2OS
Molecular Weight:
204.2369
MDL Number:
MFCD18426887
IUPAC Name:
3,5-difluoro-2-propoxybenzenethiol
InChI:
InChI=1S/C9H10F2OS/c1-2-3-12-9-7(11)4-6(10)5-8(9)13/h4-5,13H,2-3H2,1H3
InChI Key:
ZIKAMTPQPOIDBV-UHFFFAOYSA-N
SMILES:
CCCOc1c(F)cc(cc1S)F
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.042g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.235g/mol
Monoisotopic Mass:
204.042g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
10.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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