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1233506-04-1 | 3-Chloro-5-fluorophenylacetylene
CAS No: 1233506-04-1 Catalog No: AG01FELU MDL No:
Product Description
Catalog Number:
AG01FELU
Chemical Name:
3-Chloro-5-fluorophenylacetylene
CAS Number:
1233506-04-1
Molecular Formula:
C8H4ClF
Molecular Weight:
154.5688
IUPAC Name:
1-chloro-3-ethynyl-5-fluorobenzene
InChI:
InChI=1S/C8H4ClF/c1-2-6-3-7(9)5-8(10)4-6/h1,3-5H
InChI Key:
CHJJZDFNDPTXAY-UHFFFAOYSA-N
SMILES:
C#Cc1cc(F)cc(c1)Cl
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.999g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
154.568g/mol
Monoisotopic Mass:
153.999g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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