Home Other Building Blocks 1-(3,4-difluorophenyl)-2-methoxyethan-1-one

1-(3,4-difluorophenyl)-2-methoxyethan-1-one

CAS No.:
1157136-76-9
Catalog Number:
AG01A4HO
Molecular Formula:
C9H8F2O2
Molecular Weight:
186.1554
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Product Description
Catalog Number:
AG01A4HO
Chemical Name:
1-(3,4-difluorophenyl)-2-methoxyethan-1-one
CAS Number:
1157136-76-9
Molecular Formula:
C9H8F2O2
Molecular Weight:
186.1554
MDL Number:
MFCD11555913
IUPAC Name:
1-(3,4-difluorophenyl)-2-methoxyethanone
InChI:
InChI=1S/C9H8F2O2/c1-13-5-9(12)6-2-3-7(10)8(11)4-6/h2-4H,5H2,1H3
InChI Key:
UPBQDEVAONCZME-UHFFFAOYSA-N
SMILES:
COCC(=O)c1ccc(c(c1)F)F
Properties
Complexity:
185  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.049g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.158g/mol
Monoisotopic Mass:
186.049g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties