Home Halogens ethyl 2-(2-chloro-6-nitrophenoxy)butanoate

ethyl 2-(2-chloro-6-nitrophenoxy)butanoate

CAS No.:
330666-70-1
Catalog Number:
AG01A64K
Molecular Formula:
C12H14ClNO5
Molecular Weight:
287.6963
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Product Description
Catalog Number:
AG01A64K
Chemical Name:
ethyl 2-(2-chloro-6-nitrophenoxy)butanoate
CAS Number:
330666-70-1
Molecular Formula:
C12H14ClNO5
Molecular Weight:
287.6963
MDL Number:
MFCD25371719
IUPAC Name:
ethyl 2-(2-chloro-6-nitrophenoxy)butanoate
InChI:
InChI=1S/C12H14ClNO5/c1-3-10(12(15)18-4-2)19-11-8(13)6-5-7-9(11)14(16)17/h5-7,10H,3-4H2,1-2H3
InChI Key:
NAQSGTMRPIJHMY-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(Oc1c(Cl)cccc1[N+](=O)[O-])CC
Properties
Complexity:
320  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.056g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.696g/mol
Monoisotopic Mass:
287.056g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Properties