Name: Name:(Trans,trans)-3,4,5-trifluorophenyl 4'-propyl-[1,1'-bi(cyclohexane)]-4-carboxylate
Brand: Angene
SKU: AG00109Q
Rating: 90 (10 reviews)

(Trans,trans)-3,4,5-trifluorophenyl 4'-propyl-[1,1'-bi(cyclohexane)]-4-carboxylate

CAS No.:

132123-45-6

Catalog Number:

AG00109Q

Molecular Formula:

C22H29F3O2

Molecular Weight:

382.4597

Catalog Number:

AG00109Q

Chemical Name:

(Trans,trans)-3,4,5-trifluorophenyl 4'-propyl-[1,1'-bi(cyclohexane)]-4-carboxylate

CAS Number:

132123-45-6

Molecular Formula:

C22H29F3O2

Molecular Weight:

382.4597

MDL Number:

MFCD11053486

IUPAC Name:

(3,4,5-trifluorophenyl) 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate

InChI:

InChI=1S/C22H29F3O2/c1-2-3-14-4-6-15(7-5-14)16-8-10-17(11-9-16)22(26)27-18-12-19(23)21(25)20(24)13-18/h12-17H,2-11H2,1H3

InChI Key:

SDAWLPKKYZMFEM-UHFFFAOYSA-N

SMILES:

CCC[C@@H]1CC[C@H](CC1)[C@@H]1CC[C@H](CC1)C(=O)Oc1cc(F)c(c(c1)F)F

EC Number:

603-548-4

Complexity:

458

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

382.212g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

382.467g/mol

Monoisotopic Mass:

382.212g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

26.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

7.8