| CAS Number | 170879-71-7 |
| Catalog Number | AG00J2MS(AGN-PC-0WB61K) |
| Chemical Name | 2,3-Dichloro-4-methylbenzaldehyde |
| IUPAC Name | 2,3-dichloro-4-methylbenzaldehyde |
| InChI | InChI=1S/C8H6Cl2O/c1-5-2-3-6(4-11)8(10)7(5)9/h2-4H,1H3 |
| InChI Key | FYLGSVWGWPLXGK-UHFFFAOYSA-N |
| MDL Number | MFCD18917081 |
| Molecular Formula | C8H6Cl2O |
| Molecular Weight | 189.0386 |
| SMILES | ClC1=C(C=O)C=CC(=C1Cl)C |
| Synonyms | 2,3-dichloro-4-methylbenzaldehyde,
170879-71-7,
SCHEMBL8608699,
ZX-CM010154,
2,3-dichloro-4-methyl-benzaldehyde,
MFCD18917081,
ZINC59467059,
AKOS027368454,
FCH1052055,
Y-8047,
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| Complexity | 149 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 187.98g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.035g/mol |
| Monoisotopic Mass | 187.98g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
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Certificate of Analysis
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