| CAS Number | 1400701-89-4 |
| Catalog Number | AG01AV0X(AGN-PC-0WO9E4) |
| Chemical Name | (4-Bromo-2-chlorophenyl)(cyclopropyl)methanone |
| IUPAC Name | (4-bromo-2-chlorophenyl)-cyclopropylmethanone |
| InChI | InChI=1S/C10H8BrClO/c11-7-3-4-8(9(12)5-7)10(13)6-1-2-6/h3-6H,1-2H2 |
| InChI Key | XNGMONNKRSRKCG-UHFFFAOYSA-N |
| MDL Number | MFCD27959413 |
| Molecular Formula | C10H8BrClO |
| Molecular Weight | 259.5269 |
| SMILES | ClC1=C(C(C2CC2)=O)C=CC(Br)=C1 |
| Synonyms | (4-bromo-2-chlorophenyl)(cyclopropyl)methanone,
1400701-89-4,
SCHEMBL12490665,
XNGMONNKRSRKCG-UHFFFAOYSA-N,
ZINC95942505,
AKOS026729113,
MCULE-7105882753,
NE17266,
(4-bromo-2-chloro-phenyl)-cyclopropyl-methanone,
Z1787355768,
|
| Complexity | 215 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.945g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.527g/mol |
| Monoisotopic Mass | 257.945g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number