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1461715-02-5 | 3-(trifluoromethyl)cyclohexane-1-carbaldehyde, Mixture of diastereomers
CAS No: 1461715-02-5 Catalog No: AG01ABKC MDL No:MFCD20862545
Product Description
Catalog Number:
AG01ABKC
Chemical Name:
3-(trifluoromethyl)cyclohexane-1-carbaldehyde, Mixture of diastereomers
CAS Number:
1461715-02-5
Molecular Formula:
C8H11F3O
Molecular Weight:
180.1675
MDL Number:
MFCD20862545
IUPAC Name:
3-(trifluoromethyl)cyclohexane-1-carbaldehyde
InChI:
InChI=1S/C8H11F3O/c9-8(10,11)7-3-1-2-6(4-7)5-12/h5-7H,1-4H2
InChI Key:
CRBMZTUNGPEXLG-UHFFFAOYSA-N
SMILES:
O=CC1CCCC(C1)C(F)(F)F
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.076g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.17g/mol
Monoisotopic Mass:
180.076g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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