| CAS Number | 874-27-1 |
| Catalog Number | AG004G6Q(AGN-PC-00L86F) |
| Chemical Name | Benzaldehyde, 3-chloro-2-methyl- |
| IUPAC Name | 3-chloro-2-methylbenzaldehyde |
| InChI | InChI=1S/C8H7ClO/c1-6-7(5-10)3-2-4-8(6)9/h2-5H,1H3 |
| InChI Key | WMDHVKYUOKHNQK-UHFFFAOYSA-N |
| MDL Number | MFCD11047716 |
| Molecular Formula | C8H7ClO |
| Molecular Weight | 154.5936 |
| SMILES | O=Cc1cccc(c1C)Cl |
| Synonyms | 3-Chloro-2-methylbenzaldehyde,
874-27-1,
Benzaldehyde, 3-chloro-2-methyl-,
3-chloro-2-methylbenzaldehye,
SCHEMBL3409591,
CTK3C4047,
DTXSID40523728,
WMDHVKYUOKHNQK-UHFFFAOYSA-N,
KS-000011HX,
ZINC39410766,
AKOS006306074,
AS05563,
CM11895,
AS-33049,
Z0935,
Q-7407,
C8H7ClO,
6-Chloro-o-tolualdehyde,
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| Complexity | 124 |
| 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 | 1 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number