Name: Name:3,5-difluoro-4-[(prop-2-yn-1-yl)amino]benzoic acid
Brand: Angene
SKU: AG01DVA4
Rating: 90 (10 reviews)

3,5-difluoro-4-[(prop-2-yn-1-yl)amino]benzoic acid

CAS No.:

1340228-34-3

Catalog Number:

AG01DVA4

Molecular Formula:

C10H7F2NO2

Molecular Weight:

211.1649

Catalog Number:

AG01DVA4

Chemical Name:

3,5-difluoro-4-[(prop-2-yn-1-yl)amino]benzoic acid

CAS Number:

1340228-34-3

Molecular Formula:

C10H7F2NO2

Molecular Weight:

211.1649

MDL Number:

MFCD18285400

IUPAC Name:

3,5-difluoro-4-(prop-2-ynylamino)benzoic acid

InChI:

InChI=1S/C10H7F2NO2/c1-2-3-13-9-7(11)4-6(10(14)15)5-8(9)12/h1,4-5,13H,3H2,(H,14,15)

InChI Key:

BSHPQNPRJKROBP-UHFFFAOYSA-N

SMILES:

C#CCNc1c(F)cc(cc1F)C(=O)O

Complexity:

274

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

211.044g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

211.168g/mol

Monoisotopic Mass:

211.044g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

49.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.7