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Home Halogens 2-tert-Butoxycarbonylamino-5-chloro-benzoic acid

2-tert-Butoxycarbonylamino-5-chloro-benzoic acid

CAS No.:
253677-29-1
Catalog Number:
AG00BCWQ
Molecular Formula:
C12H14ClNO4
Molecular Weight:
271.6969
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$69
- +
5g
95%
In Stock USA
United States
$213
- +
10g
95%
In Stock USA
United States
$388
- +
25g
95%
In Stock USA
United States
$750
- +
Product Description
Catalog Number:
AG00BCWQ
Chemical Name:
2-tert-Butoxycarbonylamino-5-chloro-benzoic acid
CAS Number:
253677-29-1
Molecular Formula:
C12H14ClNO4
Molecular Weight:
271.6969
MDL Number:
MFCD02682158
IUPAC Name:
5-chloro-2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
InChI:
InChI=1S/C12H14ClNO4/c1-12(2,3)18-11(17)14-9-5-4-7(13)6-8(9)10(15)16/h4-6H,1-3H3,(H,14,17)(H,15,16)
InChI Key:
SWJIXFKVVPTMPQ-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)Nc1ccc(cc1C(=O)O)Cl
Properties
Complexity:
327  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.061g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
271.697g/mol
Monoisotopic Mass:
271.061g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties