| CAS Number | 51572-54-4 |
| Catalog Number | AG00DKWL(AGN-PC-0NJATL) |
| Chemical Name | 1-broMocyclopentanecarboxylic acid Methyl ester |
| IUPAC Name | methyl 1-bromocyclopentane-1-carboxylate |
| InChI | InChI=1S/C7H11BrO2/c1-10-6(9)7(8)4-2-3-5-7/h2-5H2,1H3 |
| InChI Key | YGWINKVROAENAL-UHFFFAOYSA-N |
| MDL Number | MFCD13192148 |
| Molecular Formula | C7H11BrO2 |
| Molecular Weight | 207.0650 |
| SMILES | O=C(C1(Br)CCCC1)OC |
| Synonyms | 51572-54-4,
methyl 1-bromocyclopentane-1-carboxylate,
Methyl 1-Bromocyclopentanecarboxylate,
Cyclopentanecarboxylic acid, 1-bromo-, methyl ester,
1-bromocyclopentanecarboxylic acid methyl ester,
SCHEMBL1606853,
DTXSID30501530,
YGWINKVROAENAL-UHFFFAOYSA-N,
1-bromo-1-methoxycarbonylcyclopentane,
MFCD13192148,
ZINC39242565,
AKOS023402571,
NE19341,
AS-55034,
SC-50436,
CS-0038233,
1-bromo-cyclopentanecarboxylic acid methyl ester,
|
| Complexity | 139 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.994g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.067g/mol |
| Monoisotopic Mass | 205.994g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number