Isocyanic acid, 3,4-dichlorophenyl ester
-
CAS Number 102-36-3
-
Catalog Number io-2530
-
Classification Aryl Halides
-
Molecular Weight 188.0100
-
SMILES C1=CC(=C(C=C1N=C=O)Cl)Cl
| Size | QTY | Notes | |
|---|---|---|---|
|
|
|
Add |
No description available for this item
| 1 | 3,4-DICHLOROPHENYL ISOCYANATE |
| 2 | 1,2-Dichloro-4-isocyanatobenzene |
| 3 | Benzene, 1,2-dichloro-4-isocyanato- |
| 4 | Isocyanic Acid 3,4-Dichlorophenyl Ester |
| 5 | 3,4-Dichlorfenylisokyanat |
| Molecular Formula | C7H3Cl2NO |
|---|---|
| Canonical SMILES | C1=CC(=C(C=C1N=C=O)Cl)Cl |
| Isomeric SMILES | C1=CC(=C(C=C1N=C=O)Cl)Cl |
| Molecular Weight | 188.0100 |
| InChIKey | MFUVCHZWGSJKEQ-UHFFFAOYSA-N |
| InChI | InChI=1S/C7H3Cl2NO/c8-6-2-1-5(10-4-11)3-7(6)9/h1-3H |
| XLogP | 4.2000 |
| ExactMass | 186.9592 |
| MonoisotopicMass | 186.9592 |
| TPSA | 29.4000 |
| Complexity | 179.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 2 |
| RotatableBondCount | 1 |
| HeavyAtomCount | 11 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 2856 |
| PatentFamilyCount | 1169 |
| LiteratureCount | 94 |
