| CAS Number | 77072-00-5 |
| Catalog Number | AG005EFP(AGN-PC-0UB06O) |
| Chemical Name | Benzaldehyde,3-(chloromethyl)- |
| IUPAC Name | 3-(chloromethyl)benzaldehyde |
| InChI | InChI=1S/C8H7ClO/c9-5-7-2-1-3-8(4-7)6-10/h1-4,6H,5H2 |
| InChI Key | GPNAKRWHQNYWMY-UHFFFAOYSA-N |
| MDL Number | MFCD19232727 |
| Molecular Formula | C8H7ClO |
| Molecular Weight | 154.5936 |
| SMILES | ClCc1cccc(c1)C=O |
| Synonyms | 3-(chloromethyl)benzaldehyde,
77072-00-5,
3-Chloromethylbenzaldehyde,
Benzaldehyde,3-(chloromethyl)-,
5-chloromethylbenzaldehyde,
3-chloromethyl-benzaldehyde,
SCHEMBL2568174,
CTK5E3803,
Benzaldehyde, 3-(chloromethyl)-,
DTXSID60625435,
GPNAKRWHQNYWMY-UHFFFAOYSA-N,
ZINC88189728,
AKOS006383244,
3- -BENZALDEHYDE,
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| Complexity | 114 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 154.019g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 154.593g/mol |
| Monoisotopic Mass | 154.019g/mol |
| Rotatable Bond Count | 2 |
| 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