Name: Name:3-{[(tert-butoxy)carbonyl]amino}-4-fluorobenzoic acid
Brand: Angene
SKU: AG01ABII
Rating: 90 (10 reviews)

3-{[(tert-butoxy)carbonyl]amino}-4-fluorobenzoic acid

CAS No.:

1184472-44-3

Catalog Number:

AG01ABII

Molecular Formula:

C12H14FNO4

Molecular Weight:

255.2423

Catalog Number:

AG01ABII

Chemical Name:

3-{[(tert-butoxy)carbonyl]amino}-4-fluorobenzoic acid

CAS Number:

1184472-44-3

Molecular Formula:

C12H14FNO4

Molecular Weight:

255.2423

MDL Number:

MFCD12730844

IUPAC Name:

4-fluoro-3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid

InChI:

InChI=1S/C12H14FNO4/c1-12(2,3)18-11(17)14-9-6-7(10(15)16)4-5-8(9)13/h4-6H,1-3H3,(H,14,17)(H,15,16)

InChI Key:

PEZSGCBQTNYZCL-UHFFFAOYSA-N

SMILES:

O=C(Nc1cc(ccc1F)C(=O)O)OC(C)(C)C

Complexity:

327

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

255.091g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

255.245g/mol

Monoisotopic Mass:

255.091g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

75.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.1