Home Halogens 2-(4-chloro-2-nitrophenoxy)propanoic acid

2-(4-chloro-2-nitrophenoxy)propanoic acid

CAS No.:
21105-13-5
Catalog Number:
AG019XQM
Molecular Formula:
C9H8ClNO5
Molecular Weight:
245.6165
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Product Description
Catalog Number:
AG019XQM
Chemical Name:
2-(4-chloro-2-nitrophenoxy)propanoic acid
CAS Number:
21105-13-5
Molecular Formula:
C9H8ClNO5
Molecular Weight:
245.6165
MDL Number:
MFCD03422225
IUPAC Name:
2-(4-chloro-2-nitrophenoxy)propanoic acid
InChI:
InChI=1S/C9H8ClNO5/c1-5(9(12)13)16-8-3-2-6(10)4-7(8)11(14)15/h2-5H,1H3,(H,12,13)
InChI Key:
MGSNRRSHOLDFTO-UHFFFAOYSA-N
SMILES:
OC(=O)C(Oc1ccc(cc1[N+](=O)[O-])Cl)C
Properties
Complexity:
280  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.009g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
245.615g/mol
Monoisotopic Mass:
245.009g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties