Name: Name:2-[(3-bromophenyl)methyl]-6,6,6-trifluorohexanoic acid
Brand: Angene
SKU: AG01DVMK
Rating: 90 (10 reviews)

2-[(3-bromophenyl)methyl]-6,6,6-trifluorohexanoic acid

CAS No.:

1549672-21-0

Catalog Number:

AG01DVMK

Molecular Formula:

C13H14BrF3O2

Molecular Weight:

339.1483

Catalog Number:

AG01DVMK

Chemical Name:

2-[(3-bromophenyl)methyl]-6,6,6-trifluorohexanoic acid

CAS Number:

1549672-21-0

Molecular Formula:

C13H14BrF3O2

Molecular Weight:

339.1483

MDL Number:

MFCD25219089

IUPAC Name:

2-[(3-bromophenyl)methyl]-6,6,6-trifluorohexanoic acid

InChI:

InChI=1S/C13H14BrF3O2/c14-11-5-1-3-9(8-11)7-10(12(18)19)4-2-6-13(15,16)17/h1,3,5,8,10H,2,4,6-7H2,(H,18,19)

InChI Key:

DGHZZJYVAQASRA-UHFFFAOYSA-N

SMILES:

OC(=O)C(Cc1cccc(c1)Br)CCCC(F)(F)F

Complexity:

294

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

338.013g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

339.152g/mol

Monoisotopic Mass:

338.013g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

37.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.6