2-Chloro-3,5-difluoroanisole - CAS 18627-23-1
Catalog: |
BB014290 |
Product Name: |
2-Chloro-3,5-difluoroanisole |
CAS: |
18627-23-1 |
Synonyms: |
2-chloro-1,5-difluoro-3-methoxybenzene |
IUPAC Name: | 2-chloro-1,5-difluoro-3-methoxybenzene |
Description: | 2-Chloro-3,5-difluoroanisole. |
Molecular Weight: | 178.56 |
Molecular Formula: | C7H5ClF2O |
Canonical SMILES: | COC1=CC(=CC(=C1Cl)F)F |
InChI: | InChI=1S/C7H5ClF2O/c1-11-6-3-4(9)2-5(10)7(6)8/h2-3H,1H3 |
InChI Key: | MADYPAXFVCUWLS-UHFFFAOYSA-N |
Boiling Point: | 414.8 °C at 760 mmHg |
Density: | 1.4 g/cm3 |
MDL: | MFCD00134408 |
LogP: | 2.62680 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
AU-2010313162-A1 | Acylamino-substituted cyclic carboxylic acid derivatives and their use as pharmaceuticals | 20091102 |
CA-2779268-A1 | Acylamino-substituted cyclic carboxylic acid derivatives and their use as pharmaceuticals | 20091102 |
EP-2496556-A1 | Acylamino-substituted cyclic carboxylic acid derivatives and their use as pharmaceuticals | 20091102 |
EP-2496556-B1 | Acylamino-substituted cyclic carboxylic acid derivatives and their use as pharmaceuticals | 20091102 |
JP-2013509446-A | Acylamino substituted cyclic carboxylic acid derivatives and their use as pharmaceuticals | 20091102 |
Complexity: | 134 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 177.9996988 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 177.9996988 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 9.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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