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Home > Aldehydes > 951890-33-8
951890-33-8 | 3-(3-Chloro-5-fluorophenyl)propionaldehyde
CAS No: 951890-33-8 Catalog No: AG01DOIO MDL No:MFCD08741517
Product Description
Catalog Number:
AG01DOIO
Chemical Name:
3-(3-Chloro-5-fluorophenyl)propionaldehyde
CAS Number:
951890-33-8
Molecular Formula:
C9H8ClFO
Molecular Weight:
186.6106
MDL Number:
MFCD08741517
IUPAC Name:
3-(3-chloro-5-fluorophenyl)propanal
InChI:
InChI=1S/C9H8ClFO/c10-8-4-7(2-1-3-12)5-9(11)6-8/h3-6H,1-2H2
InChI Key:
ZBUKICCRIMBVQV-UHFFFAOYSA-N
SMILES:
O=CCCc1cc(F)cc(c1)Cl
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.025g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.61g/mol
Monoisotopic Mass:
186.025g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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