Name: Name:5-([(tert-Butoxy)carbonyl]amino)-2-fluorobenzoic acid
Brand: Angene
SKU: AG001HET
Rating: 90 (10 reviews)

5-([(tert-Butoxy)carbonyl]amino)-2-fluorobenzoic acid

CAS No.:

141940-32-1

Catalog Number:

AG001HET

Molecular Formula:

C12H14FNO4

Molecular Weight:

255.2423

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United States

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Catalog Number:

AG001HET

Chemical Name:

5-([(tert-Butoxy)carbonyl]amino)-2-fluorobenzoic acid

CAS Number:

141940-32-1

Molecular Formula:

C12H14FNO4

Molecular Weight:

255.2423

MDL Number:

MFCD12525335

IUPAC Name:

2-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid

InChI:

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

InChI Key:

VUEMWLXHFTXNLL-UHFFFAOYSA-N

SMILES:

O=C(OC(C)(C)C)Nc1ccc(c(c1)C(=O)O)F

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:

2.9