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100482-85-7 | Butanal, 4-chloro-3-(dichlorofluoromethyl)-4,4-difluoro-3-hydroxy-
CAS No: 100482-85-7 Catalog No: AG00023S MDL No:
Product Description
Catalog Number:
AG00023S
Chemical Name:
Butanal, 4-chloro-3-(dichlorofluoromethyl)-4,4-difluoro-3-hydroxy-
CAS Number:
100482-85-7
Molecular Formula:
C5H4Cl3F3O2
Molecular Weight:
259.4383
IUPAC Name:
4,4-dichloro-3-[chloro(difluoro)methyl]-4-fluoro-3-hydroxybutanal
InChI:
InChI=1S/C5H4Cl3F3O2/c6-4(7,9)3(13,1-2-12)5(8,10)11/h2,13H,1H2
InChI Key:
ROAUSQYWMAOSJW-UHFFFAOYSA-N
SMILES:
O=CCC(C(Cl)(Cl)F)(C(Cl)(F)F)O
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.923g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.43g/mol
Monoisotopic Mass:
257.923g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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