| CAS Number | 1080636-35-6 |
| Catalog Number | AG00HB2E(AGN-PC-0WNOKY) |
| Chemical Name | 3-(2-Chlorophenyl)cyclobutan-1-one |
| IUPAC Name | 3-(2-chlorophenyl)cyclobutan-1-one |
| InChI | InChI=1S/C10H9ClO/c11-10-4-2-1-3-9(10)7-5-8(12)6-7/h1-4,7H,5-6H2 |
| InChI Key | PZRHYHKZMBRCKP-UHFFFAOYSA-N |
| MDL Number | MFCD11848525 |
| Molecular Formula | C10H9ClO |
| Molecular Weight | 180.6309 |
| SMILES | ClC1=C(C2CC(=O)C2)C=CC=C1 |
| Synonyms | 3-(2-CHLOROPHENYL)CYCLOBUTANONE,
1080636-35-6,
3-(2-chlorophenyl)cyclobutan-1-one,
SCHEMBL427764,
5615AJ,
ZINC72266319,
AKOS023842438,
SC-36056,
SY033757,
MFCD11848525 (95%),
F8884-7041,
Z2213893011,
C10H9ClO,
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| Complexity | 182 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.034g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.631g/mol |
| Monoisotopic Mass | 180.034g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number