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

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

CAS No.:
141871-02-5
Catalog Number:
AG001H9W
Molecular Formula:
C13H17NO4
Molecular Weight:
251.2784
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$75
- +
5g
95%
In Stock USA
United States
$300
- +
10g
95%
In Stock USA
United States
$525
- +
25g
95%
In Stock USA
United States
$1050
- +
Product Description
Catalog Number:
AG001H9W
Chemical Name:
2-(tert-Butoxycarbonyl-methyl-amino)-benzoic acid
CAS Number:
141871-02-5
Molecular Formula:
C13H17NO4
Molecular Weight:
251.2784
MDL Number:
MFCD00237567
IUPAC Name:
2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]benzoic acid
InChI:
InChI=1S/C13H17NO4/c1-13(2,3)18-12(17)14(4)10-8-6-5-7-9(10)11(15)16/h5-8H,1-4H3,(H,15,16)
InChI Key:
UXLICAHPTWWCII-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)CNc1ccccc1C(=O)O
Properties
Complexity:
321  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.116g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
251.282g/mol
Monoisotopic Mass:
251.116g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties