| CAS Number | 749928-59-4 |
| Catalog Number | AG00G83L(AGN-PC-0WP1TR) |
| Chemical Name | Methyl 1-(3-bromophenyl)cyclopropane-1-carboxylate |
| IUPAC Name | methyl 1-(3-bromophenyl)cyclopropane-1-carboxylate |
| InChI | InChI=1S/C11H11BrO2/c1-14-10(13)11(5-6-11)8-3-2-4-9(12)7-8/h2-4,7H,5-6H2,1H3 |
| InChI Key | GJGGVSIHEZLWPU-UHFFFAOYSA-N |
| MDL Number | MFCD18907423 |
| Molecular Formula | C11H11BrO2 |
| Molecular Weight | 255.1078 |
| SMILES | O=C(C1(C2=CC=CC(Br)=C2)CC1)OC |
| Synonyms | methyl 1-(3-bromophenyl)cyclopropane-1-carboxylate,
749928-59-4,
methyl 1-(3-bromophenyl)cyclopropanecarboxylate,
1-(3-Bromo-phenyl)-cyclopropanecarboxylic Acid Methyl Ester,
SCHEMBL1656971,
GJGGVSIHEZLWPU-UHFFFAOYSA-N,
MFCD18907423,
ZINC74056758,
AS-43744,
CJ-21721,
DA-03694,
SC-90852,
FT-0757254,
V7603,
Cyclopropanecarboxylic acid, 1-(3-bromophenyl)-, methyl ester,
C11H11BrO2,
|
| Complexity | 235 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 253.994g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.111g/mol |
| Monoisotopic Mass | 253.994g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number