Name: Name:Benzoic acid, 5-bromo-2-[[(1,1-dimethylethoxy)carbonyl]amino]-
Brand: Angene
SKU: AG0030Y3
Rating: 90 (10 reviews)

Benzoic acid, 5-bromo-2-[[(1,1-dimethylethoxy)carbonyl]amino]-

CAS No.:

306937-20-2

Catalog Number:

AG0030Y3

Molecular Formula:

C12H14BrNO4

Molecular Weight:

316.1479

Catalog Number:

AG0030Y3

Chemical Name:

Benzoic acid, 5-bromo-2-[[(1,1-dimethylethoxy)carbonyl]amino]-

CAS Number:

306937-20-2

Molecular Formula:

C12H14BrNO4

Molecular Weight:

316.1479

MDL Number:

MFCD01619006

IUPAC Name:

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

InChI:

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

InChI Key:

XRMSYCMCKRUWJD-UHFFFAOYSA-N

SMILES:

O=C(OC(C)(C)C)Nc1ccc(cc1C(=O)O)Br

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