3-Chloro-2-nitrophenylacetic Acid - CAS 23066-21-9
Catalog: |
BB017903 |
Product Name: |
3-Chloro-2-nitrophenylacetic Acid |
CAS: |
23066-21-9 |
Synonyms: |
2-(3-chloro-2-nitrophenyl)acetic acid; 2-(3-chloro-2-nitrophenyl)acetic acid |
IUPAC Name: | 2-(3-chloro-2-nitrophenyl)acetic acid |
Description: | 3-Chloro-2-nitrophenylacetic Acid (CAS# 23066-21-9) is a useful research chemical. |
Molecular Weight: | 215.59 |
Molecular Formula: | C8H6ClNO4 |
Canonical SMILES: | C1=CC(=C(C(=C1)Cl)[N+](=O)[O-])CC(=O)O |
InChI: | InChI=1S/C8H6ClNO4/c9-6-3-1-2-5(4-7(11)12)8(6)10(13)14/h1-3H,4H2,(H,11,12) |
InChI Key: | BLJTYQBHLXPJPG-UHFFFAOYSA-N |
Boiling Point: | 374.2 ℃ at 760 mmHg |
Density: | 1.532 g/cm3 |
LogP: | 2.39850 |
Publication Number | Title | Priority Date |
CN-101475486-A | Preparation method of 3-chlorine-2-nitrotoluene | 20090210 |
CN-101475486-B | Preparation method of 3-chlorine-2-nitrotoluene | 20090210 |
CZ-283021-B6 | Process for preparing 5-chlorooxindole | 19920513 |
CZ-87593-A3 | Process for preparing 5-chloroxindole | 19920513 |
EP-0570817-A1 | Process for the preparation of 5-chloroxindole | 19920513 |
Complexity: | 240 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 214.9985354 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 214.9985354 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 83.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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