Name: Name:Valine, N-(2-chloro-4-(trifluoromethyl)phenyl)-
Brand: Angene
SKU: AG00GGD6
Rating: 90 (10 reviews)

Valine, N-(2-chloro-4-(trifluoromethyl)phenyl)-

CAS No.:

76338-73-3

Catalog Number:

AG00GGD6

Molecular Formula:

C12H13ClF3NO2

Molecular Weight:

295.6853

Catalog Number:

AG00GGD6

Chemical Name:

Valine, N-(2-chloro-4-(trifluoromethyl)phenyl)-

CAS Number:

76338-73-3

Molecular Formula:

C12H13ClF3NO2

Molecular Weight:

295.6853

MDL Number:

MFCD00498470

IUPAC Name:

2-[2-chloro-4-(trifluoromethyl)anilino]-3-methylbutanoic acid

InChI:

InChI=1S/C12H13ClF3NO2/c1-6(2)10(11(18)19)17-9-4-3-7(5-8(9)13)12(14,15)16/h3-6,10,17H,1-2H3,(H,18,19)

InChI Key:

YKSHSSFDOHACTC-UHFFFAOYSA-N

SMILES:

CC(C(C(=O)O)Nc1ccc(cc1Cl)C(F)(F)F)C

Complexity:

323

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

295.059g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

295.686g/mol

Monoisotopic Mass:

295.059g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

49.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.4