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Home > Fluorides > 1379212-76-6
1379212-76-6 | 4-[(Allyloxy)methyl]-3-fluorothiophenol
CAS No: 1379212-76-6 Catalog No: AG01FCCL MDL No:
Product Description
Catalog Number:
AG01FCCL
Chemical Name:
4-[(Allyloxy)methyl]-3-fluorothiophenol
CAS Number:
1379212-76-6
Molecular Formula:
C10H11FOS
Molecular Weight:
198.2571
IUPAC Name:
3-fluoro-4-(prop-2-enoxymethyl)benzenethiol
InChI:
InChI=1S/C10H11FOS/c1-2-5-12-7-8-3-4-9(13)6-10(8)11/h2-4,6,13H,1,5,7H2
InChI Key:
MBGZEDRMKQXYPP-UHFFFAOYSA-N
SMILES:
C=CCOCc1ccc(cc1F)S
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.051g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.255g/mol
Monoisotopic Mass:
198.051g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
10.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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