Name: Name:4-bromo-2-[(tert-butoxycarbonyl)amino]benzoic acid
Brand: Angene
SKU: AG0092ZO
Rating: 90 (10 reviews)

4-bromo-2-[(tert-butoxycarbonyl)amino]benzoic acid

CAS No.:

1183031-46-0

Catalog Number:

AG0092ZO

Molecular Formula:

C12H14BrNO4

Molecular Weight:

316.1479

Catalog Number:

AG0092ZO

Chemical Name:

4-bromo-2-[(tert-butoxycarbonyl)amino]benzoic acid

CAS Number:

1183031-46-0

Molecular Formula:

C12H14BrNO4

Molecular Weight:

316.1479

MDL Number:

MFCD12874244

IUPAC Name:

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

InChI:

InChI=1S/C12H14BrNO4/c1-12(2,3)18-11(17)14-9-6-7(13)4-5-8(9)10(15)16/h4-6H,1-3H3,(H,14,17)(H,15,16)

InChI Key:

KGGVXTYYRWMJCI-UHFFFAOYSA-N

SMILES:

O=C(Nc1cc(Br)ccc1C(=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:

315.011g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

316.151g/mol

Monoisotopic Mass:

315.011g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

75.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.3