Name: Name:Benzoic acid, 2-amino-3-chloro-5-(trifluoromethoxy)-, methyl ester
Brand: Angene
SKU: AG0001R9
Rating: 90 (10 reviews)

Benzoic acid, 2-amino-3-chloro-5-(trifluoromethoxy)-, methyl ester

CAS No.:

1003708-08-4

Catalog Number:

AG0001R9

Molecular Formula:

C9H7ClF3NO3

Molecular Weight:

269.6050

Catalog Number:

AG0001R9

Chemical Name:

Benzoic acid, 2-amino-3-chloro-5-(trifluoromethoxy)-, methyl ester

CAS Number:

1003708-08-4

Molecular Formula:

C9H7ClF3NO3

Molecular Weight:

269.6050

MDL Number:

MFCD09835202

IUPAC Name:

methyl 2-amino-3-chloro-5-(trifluoromethoxy)benzoate

InChI:

InChI=1S/C9H7ClF3NO3/c1-16-8(15)5-2-4(17-9(11,12)13)3-6(10)7(5)14/h2-3H,14H2,1H3

InChI Key:

FLUHLRSUIMWSLN-UHFFFAOYSA-N

SMILES:

COC(=O)c1cc(cc(c1N)Cl)OC(F)(F)F

Complexity:

287

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

269.007g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

269.604g/mol

Monoisotopic Mass:

269.007g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

61.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.5