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1233521-08-8 | 4-(Acetamino)-3-fluorophenylacetylene
CAS No: 1233521-08-8 Catalog No: AG01FCZ9 MDL No:
Product Description
Catalog Number:
AG01FCZ9
Chemical Name:
4-(Acetamino)-3-fluorophenylacetylene
CAS Number:
1233521-08-8
Molecular Formula:
C10H8FNO
Molecular Weight:
177.1750
IUPAC Name:
N-(4-ethynyl-2-fluorophenyl)acetamide
InChI:
InChI=1S/C10H8FNO/c1-3-8-4-5-10(9(11)6-8)12-7(2)13/h1,4-6H,2H3,(H,12,13)
InChI Key:
JUUBIPACUFTENW-UHFFFAOYSA-N
SMILES:
C#Cc1ccc(c(c1)F)NC(=O)C
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.059g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
177.178g/mol
Monoisotopic Mass:
177.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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