Methyl 2-(4-Chloro-2-nitrophenyl)acetate - CAS 147124-37-6
Catalog: |
BB010162 |
Product Name: |
Methyl 2-(4-Chloro-2-nitrophenyl)acetate |
CAS: |
147124-37-6 |
Synonyms: |
2-(4-chloro-2-nitrophenyl)acetic acid methyl ester; methyl 2-(4-chloro-2-nitrophenyl)acetate |
IUPAC Name: | methyl 2-(4-chloro-2-nitrophenyl)acetate |
Description: | Methyl 2-(4-Chloro-2-nitrophenyl)acetate (CAS# 147124-37-6 ) is a useful research chemical. |
Molecular Weight: | 229.62 |
Molecular Formula: | C9H8ClNO4 |
Canonical SMILES: | COC(=O)CC1=C(C=C(C=C1)Cl)[N+](=O)[O-] |
InChI: | InChI=1S/C9H8ClNO4/c1-15-9(12)4-6-2-3-7(10)5-8(6)11(13)14/h2-3,5H,4H2,1H3 |
InChI Key: | SMDKYKOCWWWBJC-UHFFFAOYSA-N |
Boiling Point: | 303.984 °C at 760 mmHg |
LogP: | 2.48690 |
Publication Number | Title | Priority Date |
AU-2014290498-A1 | Aminomethyl-biaryl derivatives as complement Factor D inhibitors and uses thereof | 20130718 |
CA-2917614-A1 | Aminomethyl-biaryl derivatives complement factor d inhibitors and uses thereof | 20130718 |
EP-3022182-A1 | Aminomethyl-biaryl derivatives as complement factor d inhibitors and uses thereof | 20130718 |
JP-2016529238-A | Aminomethyl-biaryl derivatives and their use as complement factor D inhibitors | 20130718 |
KR-20160036568-A | Aminomethyl-biaryl derivatives as complement factor d inhibitors and uses thereof | 20130718 |
Complexity: | 253 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 229.0141854 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 229.0141854 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 72.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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