Home Halogens 2-(tert-Butoxycarbonyl-methyl-amino)-5-chloro-benzoic acid

2-(tert-Butoxycarbonyl-methyl-amino)-5-chloro-benzoic acid

CAS No.:
886362-04-5
Catalog Number:
AG008AN3
Molecular Formula:
C13H16ClNO4
Molecular Weight:
285.7234
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
1 week
United States
$180
- +
5g
97%
1 week
United States
$544
- +
Product Description
Catalog Number:
AG008AN3
Chemical Name:
2-(tert-Butoxycarbonyl-methyl-amino)-5-chloro-benzoic acid
CAS Number:
886362-04-5
Molecular Formula:
C13H16ClNO4
Molecular Weight:
285.7234
MDL Number:
MFCD03426355
IUPAC Name:
5-chloro-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]benzoic acid
InChI:
InChI=1S/C13H16ClNO4/c1-13(2,3)19-12(18)15(4)10-6-5-8(14)7-9(10)11(16)17/h5-7H,1-4H3,(H,16,17)
InChI Key:
XCSUEKNXBQVILR-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)C(=O)O)N(C(=O)OC(C)(C)C)C
Properties
Complexity:
353  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.077g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
285.724g/mol
Monoisotopic Mass:
285.077g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties