Name: Name:3-fluoro-4-(3-methylbutanamido)benzoic acid
Brand: Angene
SKU: AG019RSG
Rating: 90 (10 reviews)

3-fluoro-4-(3-methylbutanamido)benzoic acid

CAS No.:

1275433-47-0

Catalog Number:

AG019RSG

Molecular Formula:

C12H14FNO3

Molecular Weight:

239.2429

Catalog Number:

AG019RSG

Chemical Name:

3-fluoro-4-(3-methylbutanamido)benzoic acid

CAS Number:

1275433-47-0

Molecular Formula:

C12H14FNO3

Molecular Weight:

239.2429

MDL Number:

MFCD19545742

IUPAC Name:

3-fluoro-4-(3-methylbutanoylamino)benzoic acid

InChI:

InChI=1S/C12H14FNO3/c1-7(2)5-11(15)14-10-4-3-8(12(16)17)6-9(10)13/h3-4,6-7H,5H2,1-2H3,(H,14,15)(H,16,17)

InChI Key:

XOQDZTPVDSAQQQ-UHFFFAOYSA-N

SMILES:

CC(CC(=O)Nc1ccc(cc1F)C(=O)O)C

Complexity:

294

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

239.096g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

239.246g/mol

Monoisotopic Mass:

239.096g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

66.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.1