| CAS Number | 76274-94-7 |
| Catalog Number | AG00ICQ0(AGN-PC-072A5S) |
| Chemical Name | 4-Cyclopropylbenzoyl chloride |
| IUPAC Name | 4-cyclopropylbenzoyl chloride |
| InChI | InChI=1S/C10H9ClO/c11-10(12)9-5-3-8(4-6-9)7-1-2-7/h3-7H,1-2H2 |
| InChI Key | PFLSDXYKTMMDEA-UHFFFAOYSA-N |
| MDL Number | MFCD24849273 |
| Molecular Formula | C10H9ClO |
| Molecular Weight | 180.6309 |
| SMILES | ClC(=O)C1=CC=C(C=C1)C1CC1 |
| Synonyms | 4-Cyclopropylbenzoyl chloride,
76274-94-7,
SCHEMBL103928,
4-cyclopropyl-benzoyl chloride,
Benzoyl chloride, 4-cyclopropyl-,
4-cyclopropylbenzoic acid chloride,
PFLSDXYKTMMDEA-UHFFFAOYSA-N,
MFCD24849273,
ZINC95917667,
AKOS030524919,
AS-33125,
4-cyclopropylbenzenecarboxylic acid chloride,
|
| Complexity | 178 |
| 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 | 2 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number