Name: Name:1-[3-(bromomethyl)phenyl]-2,2,2-trifluoroethan-1-one
Brand: Angene
SKU: AG01C22W
Rating: 90 (10 reviews)

1-[3-(bromomethyl)phenyl]-2,2,2-trifluoroethan-1-one

CAS No.:

370104-05-5

Catalog Number:

AG01C22W

Molecular Formula:

C9H6BrF3O

Molecular Weight:

267.0425

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

Product Description

Catalog Number:

AG01C22W

Chemical Name:

1-[3-(bromomethyl)phenyl]-2,2,2-trifluoroethan-1-one

CAS Number:

370104-05-5

Molecular Formula:

C9H6BrF3O

Molecular Weight:

267.0425

MDL Number:

MFCD25962811

IUPAC Name:

1-[3-(bromomethyl)phenyl]-2,2,2-trifluoroethanone

InChI:

InChI=1S/C9H6BrF3O/c10-5-6-2-1-3-7(4-6)8(14)9(11,12)13/h1-4H,5H2

InChI Key:

PJBFZGACRBKRKV-UHFFFAOYSA-N

SMILES:

BrCc1cccc(c1)C(=O)C(F)(F)F

Properties

Complexity:

215

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

265.955g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

267.045g/mol

Monoisotopic Mass:

265.955g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

17.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.3

Literature

Title	Journal
A structure-based design approach to the development of novel, reversible AChE inhibitors.	Journal of medicinal chemistry 20010927