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100482-83-5 | Butanal, 4-chloro-4,4-difluoro-3-hydroxy-3-(trifluoromethyl)-
CAS No: 100482-83-5 Catalog No: AG00023T MDL No:
Product Description
Catalog Number:
AG00023T
Chemical Name:
Butanal, 4-chloro-4,4-difluoro-3-hydroxy-3-(trifluoromethyl)-
CAS Number:
100482-83-5
Molecular Formula:
C5H4ClF5O2
Molecular Weight:
226.5291
IUPAC Name:
3-[chloro(difluoro)methyl]-4,4,4-trifluoro-3-hydroxybutanal
InChI:
InChI=1S/C5H4ClF5O2/c6-4(7,8)3(13,1-2-12)5(9,10)11/h2,13H,1H2
InChI Key:
BFZCNIWWHOBLLD-UHFFFAOYSA-N
SMILES:
O=CCC(C(Cl)(F)F)(C(F)(F)F)O
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.982g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.527g/mol
Monoisotopic Mass:
225.982g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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