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139218-69-2 | Benzenepropanenitrile, 2-chloro-4,5-difluoro-β-oxo-
CAS No: 139218-69-2 Catalog No: AG001AHW MDL No:MFCD02260826
Product Description
Catalog Number:
AG001AHW
Chemical Name:
Benzenepropanenitrile, 2-chloro-4,5-difluoro-β-oxo-
CAS Number:
139218-69-2
Molecular Formula:
C9H4ClF2NO
Molecular Weight:
215.5840
MDL Number:
MFCD02260826
IUPAC Name:
3-(2-chloro-4,5-difluorophenyl)-3-oxopropanenitrile
InChI:
InChI=1S/C9H4ClF2NO/c10-6-4-8(12)7(11)3-5(6)9(14)1-2-13/h3-4H,1H2
InChI Key:
HCJYLNKSHNGRII-UHFFFAOYSA-N
SMILES:
Fc1cc(C(=O)CC#N)c(cc1F)Cl
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.995g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.584g/mol
Monoisotopic Mass:
214.995g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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