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30885-80-4 | Propanoic acid, 2-(2-chloro-4-nitrophenoxy)-, ethyl ester
CAS No: 30885-80-4 Catalog No: AG0031L9 MDL No:MFCD00124395
Product Description
Catalog Number:
AG0031L9
Chemical Name:
Propanoic acid, 2-(2-chloro-4-nitrophenoxy)-, ethyl ester
CAS Number:
30885-80-4
Molecular Formula:
C11H12ClNO5
Molecular Weight:
273.6697
MDL Number:
MFCD00124395
IUPAC Name:
ethyl 2-(2-chloro-4-nitrophenoxy)propanoate
InChI:
InChI=1S/C11H12ClNO5/c1-3-17-11(14)7(2)18-10-5-4-8(13(15)16)6-9(10)12/h4-7H,3H2,1-2H3
InChI Key:
CAQREJSVODBDNT-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(Oc1ccc(cc1Cl)[N+](=O)[O-])C
NSC Number:
212395
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.04g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.669g/mol
Monoisotopic Mass:
273.04g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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