| CAS Number | 22911-21-3 |
| Catalog Number | AG002LGG(AGN-PC-0NIDOQ) |
| Chemical Name | 1-Chloro-4-(trimethoxymethyl)benzene |
| EC Number | 607-182-6 |
| IUPAC Name | 1-chloro-4-(trimethoxymethyl)benzene |
| InChI | InChI=1S/C10H13ClO3/c1-12-10(13-2,14-3)8-4-6-9(11)7-5-8/h4-7H,1-3H3 |
| InChI Key | TWUAATUKQFPYJN-UHFFFAOYSA-N |
| MDL Number | MFCD16112439 |
| Molecular Formula | C10H13ClO3 |
| Molecular Weight | 216.6614 |
| SMILES | COC(C1=CC=C(Cl)C=C1)(OC)OC |
| Synonyms | 1-Chloro-4-(trimethoxymethyl)benzene,
22911-21-3,
Benzene, 1-chloro-4-(trimethoxymethyl)-,
SCHEMBL8824095,
MFCD16112439,
ZINC39201574,
AKOS011074997,
DS-8785,
AJ-99002,
AK147646,
|
| Complexity | 155 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.055g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.661g/mol |
| Monoisotopic Mass | 216.055g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 27.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number