| CAS Number | 69342-45-6 |
| Catalog Number | AG0060XG(AGN-PC-001CQX) |
| Chemical Name | 1-isocyanato-4-(propan-2-yloxy)benzene |
| IUPAC Name | 1-isocyanato-4-propan-2-yloxybenzene |
| InChI | InChI=1S/C10H11NO2/c1-8(2)13-10-5-3-9(4-6-10)11-7-12/h3-6,8H,1-2H3 |
| InChI Key | GLBWCIOPSWMAFY-UHFFFAOYSA-N |
| MDL Number | MFCD09901279 |
| Molecular Formula | C10H11NO2 |
| Molecular Weight | 177.1998 |
| SMILES | CC(OC1=CC=C(N=C=O)C=C1)C |
| Synonyms | 69342-45-6,
1-isocyanato-4-isopropoxybenzene,
4-ISOPROPOXYPHENYL ISOCYANATE,
SCHEMBL9111062,
CTK5C9435,
DTXSID70559994,
AKOS012410816,
1-isocyanato-4-(propan-2-yloxy)benzene,
1-Isocyanato-4-[(propan-2-yl)oxy]benzene,
Benzene, 1-isocyanato-4-(1-methylethoxy)-,
|
| Complexity | 189 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 177.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 177.203g/mol |
| Monoisotopic Mass | 177.079g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 38.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
| Symbol: |   |
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Hazard Class
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6.1
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Hazard statements
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H302-H312-H315-H319-H332-H334-H335
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Packing Group
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Ⅲ
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Precautionary statements
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P233-P260-P261-P264-P270-P271-P280-P285-P301+P312-P302+P352-P304-P304+P340-P304+P341-P305+P351+P338-P312-P321-P322-P330-P332+P313-P337+P313-P340-P342+P311-P362-P363-P403-P403+P233-P405-P501
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UN Code
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UN 2206
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Certificate of Analysis
Lot Number