Ethyl 2-(4-Chloro-2-nitrophenyl)acetate - CAS 108274-38-0
Catalog: |
BB002218 |
Product Name: |
Ethyl 2-(4-Chloro-2-nitrophenyl)acetate |
CAS: |
108274-38-0 |
Synonyms: |
2-(4-chloro-2-nitrophenyl)acetic acid ethyl ester; ethyl 2-(4-chloro-2-nitrophenyl)acetate |
IUPAC Name: | ethyl 2-(4-chloro-2-nitrophenyl)acetate |
Description: | Ethyl 2-(4-Chloro-2-nitrophenyl)acetate (CAS# 108274-38-0) is a useful research chemical. |
Molecular Weight: | 243.64 |
Molecular Formula: | C10H10ClNO4 |
Canonical SMILES: | CCOC(=O)CC1=C(C=C(C=C1)Cl)[N+](=O)[O-] |
InChI: | InChI=1S/C10H10ClNO4/c1-2-16-10(13)5-7-3-4-8(11)6-9(7)12(14)15/h3-4,6H,2,5H2,1H3 |
InChI Key: | NFTIGSHTDJWTAT-UHFFFAOYSA-N |
LogP: | 2.87700 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2003171588-A1 | 1,2-disubstituted-6-oxo-3-phenyl-piperidine-3-carboxamides and combinatorial libraries thereof | 20020307 |
WO-03076403-A1 | 1,2-disubstituded-6-oxo-3-phenyl-piperidine-3-carboxamides and combinatorial libraries thereof | 20020307 |
Complexity: | 266 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 243.0298355 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 243.0298355 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 72.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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