Name: Name:Benzoic acid, 2-[[(1,1-dimethylethyl)amino]carbonyl]-
Brand: Angene
SKU: AG0028QS
Rating: 90 (10 reviews)

Benzoic acid, 2-[[(1,1-dimethylethyl)amino]carbonyl]-

CAS No.:

20320-35-8

Catalog Number:

AG0028QS

Molecular Formula:

C12H15NO3

Molecular Weight:

221.2524

Catalog Number:

AG0028QS

Chemical Name:

Benzoic acid, 2-[[(1,1-dimethylethyl)amino]carbonyl]-

CAS Number:

20320-35-8

Molecular Formula:

C12H15NO3

Molecular Weight:

221.2524

MDL Number:

MFCD00029960

IUPAC Name:

2-(tert-butylcarbamoyl)benzoic acid

InChI:

InChI=1S/C12H15NO3/c1-12(2,3)13-10(14)8-6-4-5-7-9(8)11(15)16/h4-7H,1-3H3,(H,13,14)(H,15,16)

InChI Key:

XCLHANSFIVZGFC-UHFFFAOYSA-N

SMILES:

O=C(c1ccccc1C(=O)O)NC(C)(C)C

Complexity:

281

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

221.105g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

221.256g/mol

Monoisotopic Mass:

221.105g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

66.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5