Name: Name:2-Adamantyl-4-bromo-1-(2,2,2-trifluoroethoxy)benzene
Brand: Angene
SKU: AG003GBT
Rating: 90 (10 reviews)

2-Adamantyl-4-bromo-1-(2,2,2-trifluoroethoxy)benzene

CAS No.:

929000-50-0

Catalog Number:

AG003GBT

Molecular Formula:

C18H20BrF3O

Molecular Weight:

389.2500

Catalog Number:

AG003GBT

Chemical Name:

2-Adamantyl-4-bromo-1-(2,2,2-trifluoroethoxy)benzene

CAS Number:

929000-50-0

Molecular Formula:

C18H20BrF3O

Molecular Weight:

389.2500

MDL Number:

MFCD09037475

IUPAC Name:

2-[5-bromo-2-(2,2,2-trifluoroethoxy)phenyl]adamantane

InChI:

InChI=1S/C18H20BrF3O/c19-14-1-2-16(23-9-18(20,21)22)15(8-14)17-12-4-10-3-11(6-12)7-13(17)5-10/h1-2,8,10-13,17H,3-7,9H2

InChI Key:

AYTGWNPYDOAOOE-UHFFFAOYSA-N

SMILES:

FC(COc1ccc(cc1C1C2CC3CC1CC(C2)C3)Br)(F)F

Complexity:

411

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

388.065g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

389.256g/mol

Monoisotopic Mass:

388.065g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

9.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

6.8