| CAS Number | 43161-30-4 |
| Catalog Number | AG00DL72(AGN-PC-02JSYL) |
| Chemical Name | Ethyl 1-(bromomethyl)cyclopropanecarboxylate |
| IUPAC Name | methyl 1-(bromomethyl)cyclopropane-1-carboxylate |
| InChI | InChI=1S/C6H9BrO2/c1-9-5(8)6(4-7)2-3-6/h2-4H2,1H3 |
| InChI Key | GPFGVZAQKJPYAT-UHFFFAOYSA-N |
| MDL Number | MFCD16036400 |
| Molecular Formula | C6H9BrO2 |
| Molecular Weight | 193.0385 |
| SMILES | O=C(C1(CBr)CC1)OC |
| Synonyms | 43161-30-4,
methyl 1-(bromomethyl)cyclopropanecarboxylate,
methyl 1-(bromomethyl)cyclopropane-1-carboxylate,
1-(bromomethyl)cyclopropanecarboxylic acid methyl ester,
Cyclopropanecarboxylic acid, 1-(bromomethyl)-, methyl ester,
SCHEMBL1504073,
CTK1D2770,
DTXSID80599720,
GPFGVZAQKJPYAT-UHFFFAOYSA-N,
ZINC77010707,
AKOS007930479,
NE44877,
SC-14662,
CS-0056014,
F8888-2524,
Ethyl 1-(bromomethyl)cyclopropanecarboxylate,
|
| Complexity | 129 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 191.979g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.04g/mol |
| Monoisotopic Mass | 191.979g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
| Symbol: |   |
|
Hazard Class
|
8
|
|
Hazard statements
|
H227-H315-H318-H335
|
|
Packing Group
|
Ⅲ
|
|
Precautionary statements
|
P210-P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P310-P332+P313-P362-P370+P378-P403+P233-P403+P235-P405-P501
|
|
UN Code
|
UN 3265
|
Certificate of Analysis
Lot Number