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119450-49-6 | Pentanal, 2,2,5-trichloro-
CAS No: 119450-49-6 Catalog No: AG000ISO MDL No:MFCD00142753
Product Description
Catalog Number:
AG000ISO
Chemical Name:
Pentanal, 2,2,5-trichloro-
CAS Number:
119450-49-6
Molecular Formula:
C5H7Cl3O
Molecular Weight:
189.4675
MDL Number:
MFCD00142753
IUPAC Name:
2,2,5-trichloropentanal
InChI:
InChI=1S/C5H7Cl3O/c6-3-1-2-5(7,8)4-9/h4H,1-3H2
InChI Key:
UATQNOMDTDLLFD-UHFFFAOYSA-N
SMILES:
ClCCCC(C=O)(Cl)Cl
Properties
Complexity:
92.2
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.956g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.46g/mol
Monoisotopic Mass:
187.956g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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