Name: Name:2-tert-Butoxycarbonylamino-4-chloro-benzoic acid
Brand: Angene
SKU: AG009B9D
Rating: 90 (10 reviews)

2-tert-Butoxycarbonylamino-4-chloro-benzoic acid

CAS No.:

136290-47-6

Catalog Number:

AG009B9D

Molecular Formula:

C12H14ClNO4

Molecular Weight:

271.6969

Catalog Number:

AG009B9D

Chemical Name:

2-tert-Butoxycarbonylamino-4-chloro-benzoic acid

CAS Number:

136290-47-6

Molecular Formula:

C12H14ClNO4

Molecular Weight:

271.6969

MDL Number:

MFCD02682156

IUPAC Name:

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

InChI:

InChI=1S/C12H14ClNO4/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:

PJFHAVFRBIRVQD-UHFFFAOYSA-N

SMILES:

O=C(Nc1cc(Cl)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:

271.061g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

271.697g/mol

Monoisotopic Mass:

271.061g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

75.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.2