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79784-36-4 | 2-(2,4-Difluorophenyl)-2-oxoacetaldehyde
CAS No: 79784-36-4 Catalog No: AG005H92 MDL No:MFCD04038287
Product Description
Catalog Number:
AG005H92
Chemical Name:
2-(2,4-Difluorophenyl)-2-oxoacetaldehyde
CAS Number:
79784-36-4
Molecular Formula:
C8H4F2O2
Molecular Weight:
170.1130
MDL Number:
MFCD04038287
IUPAC Name:
2-(2,4-difluorophenyl)-2-oxoacetaldehyde;hydrate
InChI:
InChI=1S/C8H4F2O2.H2O/c9-5-1-2-6(7(10)3-5)8(12)4-11;/h1-4H;1H2
InChI Key:
BILNRTMGRXGXSV-UHFFFAOYSA-N
SMILES:
O=CC(=O)c1ccc(cc1F)F
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.029g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.13g/mol
Monoisotopic Mass:
188.029g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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