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Home > Fluorides > 1379354-97-8
1379354-97-8 | 4-Fluoro-2-[(1-pyrrolindino)methyl]thiophenol
CAS No: 1379354-97-8 Catalog No: AG01FAC5 MDL No:
Product Description
Catalog Number:
AG01FAC5
Chemical Name:
4-Fluoro-2-[(1-pyrrolindino)methyl]thiophenol
CAS Number:
1379354-97-8
Molecular Formula:
C11H14FNS
Molecular Weight:
211.2990
IUPAC Name:
4-fluoro-2-(pyrrolidin-1-ylmethyl)benzenethiol
InChI:
InChI=1S/C11H14FNS/c12-10-3-4-11(14)9(7-10)8-13-5-1-2-6-13/h3-4,7,14H,1-2,5-6,8H2
InChI Key:
FMUYBNMCPJGENT-UHFFFAOYSA-N
SMILES:
Sc1ccc(cc1CN1CCCC1)F
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.083g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
211.298g/mol
Monoisotopic Mass:
211.083g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
4.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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