Home Carbonyls 2-(tert-Butoxycarbonyl-phenyl-amino)-benzoic acid

2-(tert-Butoxycarbonyl-phenyl-amino)-benzoic acid

CAS No.:
669713-65-9
Catalog Number:
AG00FAWB
Molecular Formula:
C18H19NO4
Molecular Weight:
313.3478
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
97%
1 week
United States
$166
- +
1g
97%
1 week
United States
$295
- +
Product Description
Catalog Number:
AG00FAWB
Chemical Name:
2-(tert-Butoxycarbonyl-phenyl-amino)-benzoic acid
CAS Number:
669713-65-9
Molecular Formula:
C18H19NO4
Molecular Weight:
313.3478
MDL Number:
MFCD03426358
IUPAC Name:
2-[N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]benzoic acid
InChI:
InChI=1S/C18H19NO4/c1-18(2,3)23-17(22)19(13-9-5-4-6-10-13)15-12-8-7-11-14(15)16(20)21/h4-12H,1-3H3,(H,20,21)
InChI Key:
PIHWFMXIQDTWGF-UHFFFAOYSA-N
SMILES:
O=C(N(c1ccccc1C(=O)O)c1ccccc1)OC(C)(C)C
Properties
Complexity:
423  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.131g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
313.353g/mol
Monoisotopic Mass:
313.131g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  
Properties