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Home > Fluorides > 1379309-05-3
1379309-05-3 | 2-[(Cyclopropanemethoxy)methyl]-4-fluorothiophenol
CAS No: 1379309-05-3 Catalog No: AG01F914 MDL No:
Product Description
Catalog Number:
AG01F914
Chemical Name:
2-[(Cyclopropanemethoxy)methyl]-4-fluorothiophenol
CAS Number:
1379309-05-3
Molecular Formula:
C11H13FOS
Molecular Weight:
212.2837
IUPAC Name:
2-(cyclopropylmethoxymethyl)-4-fluorobenzenethiol
InChI:
InChI=1S/C11H13FOS/c12-10-3-4-11(14)9(5-10)7-13-6-8-1-2-8/h3-5,8,14H,1-2,6-7H2
InChI Key:
KAGLQBQHODCTDN-UHFFFAOYSA-N
SMILES:
Sc1ccc(cc1COCC1CC1)F
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.067g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
212.282g/mol
Monoisotopic Mass:
212.067g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
10.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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