Name: Name:(Trans,trans)-3,4-difluorophenyl 4'-propyl-[1,1'-bi(cyclohexane)]-4-carboxylate
Brand: Angene
SKU: AG00IIL6
Rating: 90 (10 reviews)

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

CAS No.:

94840-77-4

Catalog Number:

AG00IIL6

Molecular Formula:

C22H30F2O2

Molecular Weight:

364.4692

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United States

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Catalog Number:

AG00IIL6

Chemical Name:

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

CAS Number:

94840-77-4

Molecular Formula:

C22H30F2O2

Molecular Weight:

364.4692

MDL Number:

MFCD30187304

IUPAC Name:

(3,4-difluorophenyl) 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate

InChI:

InChI=1S/C22H30F2O2/c1-2-3-15-4-6-16(7-5-15)17-8-10-18(11-9-17)22(25)26-19-12-13-20(23)21(24)14-19/h12-18H,2-11H2,1H3

InChI Key:

SJQNBUFTRYMKET-UHFFFAOYSA-N

SMILES:

CCC[C@@H]1CC[C@H](CC1)[C@@H]1CC[C@H](CC1)C(=O)Oc1ccc(c(c1)F)F

Complexity:

439

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

364.221g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

364.477g/mol

Monoisotopic Mass:

364.221g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

26.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

7.7