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1353952-31-4 | 2-(3-Fluoro-phenylsulfanyl)-ethylamine
CAS No: 1353952-31-4 Catalog No: AG01FCNU MDL No:
Product Description
Catalog Number:
AG01FCNU
Chemical Name:
2-(3-Fluoro-phenylsulfanyl)-ethylamine
CAS Number:
1353952-31-4
Molecular Formula:
C8H10FNS
Molecular Weight:
171.2351
IUPAC Name:
2-(3-fluorophenyl)sulfanylethanamine
InChI:
InChI=1S/C8H10FNS/c9-7-2-1-3-8(6-7)11-5-4-10/h1-3,6H,4-5,10H2
InChI Key:
YAOZIDUQZYMNCH-UHFFFAOYSA-N
SMILES:
NCCSc1cccc(c1)F
Properties
Complexity:
110
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.052g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
171.233g/mol
Monoisotopic Mass:
171.052g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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