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Home > Fluorides > 1379310-32-3
1379310-32-3 | 3-Fluoro-4-[(1-pyrrolindino)methyl]thiophenol
CAS No: 1379310-32-3 Catalog No: AG01FAC2 MDL No:
Product Description
Catalog Number:
AG01FAC2
Chemical Name:
3-Fluoro-4-[(1-pyrrolindino)methyl]thiophenol
CAS Number:
1379310-32-3
Molecular Formula:
C11H14FNS
Molecular Weight:
211.2990
IUPAC Name:
3-fluoro-4-(pyrrolidin-1-ylmethyl)benzenethiol
InChI:
InChI=1S/C11H14FNS/c12-11-7-10(14)4-3-9(11)8-13-5-1-2-6-13/h3-4,7,14H,1-2,5-6,8H2
InChI Key:
CZRMNANRNFELNP-UHFFFAOYSA-N
SMILES:
Sc1ccc(c(c1)F)CN1CCCC1
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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