Name: Name:4-chloro-2-[(2,2,2-trifluoroethyl)amino]benzoic acid
Brand: Angene
SKU: AG01BXOO
Rating: 90 (10 reviews)

4-chloro-2-[(2,2,2-trifluoroethyl)amino]benzoic acid

CAS No.:

1341457-94-0

Catalog Number:

AG01BXOO

Molecular Formula:

C9H7ClF3NO2

Molecular Weight:

253.6056

Catalog Number:

AG01BXOO

Chemical Name:

4-chloro-2-[(2,2,2-trifluoroethyl)amino]benzoic acid

CAS Number:

1341457-94-0

Molecular Formula:

C9H7ClF3NO2

Molecular Weight:

253.6056

MDL Number:

MFCD17290561

IUPAC Name:

4-chloro-2-(2,2,2-trifluoroethylamino)benzoic acid

InChI:

InChI=1S/C9H7ClF3NO2/c10-5-1-2-6(8(15)16)7(3-5)14-4-9(11,12)13/h1-3,14H,4H2,(H,15,16)

InChI Key:

QMGIXURKOGJEAE-UHFFFAOYSA-N

SMILES:

OC(=O)c1ccc(cc1NCC(F)(F)F)Cl

Complexity:

260

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

253.012g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

253.605g/mol

Monoisotopic Mass:

253.012g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

49.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

5.1