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18527-21-4 | 2-((4-Fluorophenyl)thio)acetonitrile
CAS No: 18527-21-4 Catalog No: AG003BVX MDL No:MFCD00179342
Product Description
Catalog Number:
AG003BVX
Chemical Name:
2-((4-Fluorophenyl)thio)acetonitrile
CAS Number:
18527-21-4
Molecular Formula:
C8H6FNS
Molecular Weight:
167.2033
MDL Number:
MFCD00179342
IUPAC Name:
2-(4-fluorophenyl)sulfanylacetonitrile
InChI:
InChI=1S/C8H6FNS/c9-7-1-3-8(4-2-7)11-6-5-10/h1-4H,6H2
InChI Key:
BJFLSPRQCMQITC-UHFFFAOYSA-N
SMILES:
N#CCSc1ccc(cc1)F
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.02g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
167.201g/mol
Monoisotopic Mass:
167.02g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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