Name: Name:3-[(methoxycarbonyl)amino]-5-(trifluoromethyl)benzoic acid
Brand: Angene
SKU: AG01A0AX
Rating: 90 (10 reviews)

3-[(methoxycarbonyl)amino]-5-(trifluoromethyl)benzoic acid

CAS No.:

1307424-31-2

Catalog Number:

AG01A0AX

Molecular Formula:

C10H8F3NO4

Molecular Weight:

263.1700

Catalog Number:

AG01A0AX

Chemical Name:

3-[(methoxycarbonyl)amino]-5-(trifluoromethyl)benzoic acid

CAS Number:

1307424-31-2

Molecular Formula:

C10H8F3NO4

Molecular Weight:

263.1700

MDL Number:

MFCD13293231

IUPAC Name:

3-(methoxycarbonylamino)-5-(trifluoromethyl)benzoic acid

InChI:

InChI=1S/C10H8F3NO4/c1-18-9(17)14-7-3-5(8(15)16)2-6(4-7)10(11,12)13/h2-4H,1H3,(H,14,17)(H,15,16)

InChI Key:

VCHYKBNSTLVIER-UHFFFAOYSA-N

SMILES:

COC(=O)Nc1cc(cc(c1)C(F)(F)F)C(=O)O

Complexity:

332

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

263.041g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

263.172g/mol

Monoisotopic Mass:

263.041g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

75.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9