Home Other Building Blocks 1-ethynyl-2,3-difluoro-4-methoxybenzene

1-ethynyl-2,3-difluoro-4-methoxybenzene

CAS No.:
931108-29-1
Catalog Number:
AG01BUZ6
Molecular Formula:
C9H6F2O
Molecular Weight:
168.1401
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Product Description
Catalog Number:
AG01BUZ6
Chemical Name:
1-ethynyl-2,3-difluoro-4-methoxybenzene
CAS Number:
931108-29-1
Molecular Formula:
C9H6F2O
Molecular Weight:
168.1401
MDL Number:
MFCD25969174
IUPAC Name:
1-ethynyl-2,3-difluoro-4-methoxybenzene
InChI:
InChI=1S/C9H6F2O/c1-3-6-4-5-7(12-2)9(11)8(6)10/h1,4-5H,2H3
InChI Key:
JFMROCFXMDXACL-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1F)F)C#C
Properties
Complexity:
196  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.039g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.143g/mol
Monoisotopic Mass:
168.039g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties