Home Aldehydes 4-(trifluoromethyl)cyclohexane-1-carbaldehyde, Mixture of diastereomers

4-(trifluoromethyl)cyclohexane-1-carbaldehyde, Mixture of diastereomers

CAS No.:
1073722-40-3
Catalog Number:
AG01ACLG
Molecular Formula:
C8H11F3O
Molecular Weight:
180.1675
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Product Description
Catalog Number:
AG01ACLG
Chemical Name:
4-(trifluoromethyl)cyclohexane-1-carbaldehyde, Mixture of diastereomers
CAS Number:
1073722-40-3
Molecular Formula:
C8H11F3O
Molecular Weight:
180.1675
MDL Number:
MFCD21321762
IUPAC Name:
4-(trifluoromethyl)cyclohexane-1-carbaldehyde
InChI:
InChI=1S/C8H11F3O/c9-8(10,11)7-3-1-6(5-12)2-4-7/h5-7H,1-4H2
InChI Key:
ZYIWAPYAQGWZJE-UHFFFAOYSA-N
SMILES:
O=CC1CCC(CC1)C(F)(F)F
Properties
Complexity:
156  
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties