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141479-87-0 | Propanoic acid, 2-chloro-, 4-nitrophenyl ester
CAS No: 141479-87-0 Catalog No: AG001GFR MDL No:
Product Description
Catalog Number:
AG001GFR
Chemical Name:
Propanoic acid, 2-chloro-, 4-nitrophenyl ester
CAS Number:
141479-87-0
Molecular Formula:
C9H8ClNO4
Molecular Weight:
229.6171
IUPAC Name:
(4-nitrophenyl) 2-chloropropanoate
InChI:
InChI=1S/C9H8ClNO4/c1-6(10)9(12)15-8-4-2-7(3-5-8)11(13)14/h2-6H,1H3
InChI Key:
UWJDMXAEGTUGSO-UHFFFAOYSA-N
SMILES:
CC(C(=O)Oc1ccc(cc1)[N+](=O)[O-])Cl
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.014g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.616g/mol
Monoisotopic Mass:
229.014g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| Modification of the enantioselectivity of two homologous thermophilic carboxylesterases from Alicyclobacillus acidocaldarius and Archaeoglobus fulgidus by random mutagenesis and screening. | Extremophiles : life under extreme conditions 20020801 |
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