| CAS Number | 861118-00-5 |
| Catalog Number | AG00IDWW(AGN-PC-05IWX0) |
| Chemical Name | Benzaldehyde, 3,5-diiodo-4-methyl- |
| IUPAC Name | 3,5-diiodo-4-methylbenzaldehyde |
| InChI | InChI=1S/C8H6I2O/c1-5-7(9)2-6(4-11)3-8(5)10/h2-4H,1H3 |
| InChI Key | KATLVMNYEWAAQO-UHFFFAOYSA-N |
| MDL Number | MFCD09032526 |
| Molecular Formula | C8H6I2O |
| Molecular Weight | 371.9416 |
| SMILES | O=CC1=CC(I)=C(C)C(I)=C1 |
| Synonyms | 3,5-Diiodo-4-methylbenzaldehyde,
861118-00-5,
AK165535,
SCHEMBL15066647,
4-methyl-3,5-diiodobenzaldehyde,
CTK7H8890,
KS-00000STR,
KATLVMNYEWAAQO-UHFFFAOYSA-N,
MFCD09032526,
ZINC21997285,
Benzaldehyde, 3,5-diiodo-4-methyl-,
AKOS015964546,
CS-W007200,
DS-9019,
FCH1390558,
3,5-DIIODO-4-METHYL-BENZALDEHYDE,
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| Complexity | 137 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 371.851g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 371.944g/mol |
| Monoisotopic Mass | 371.851g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H332-H335
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Packing Group
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Precautionary statements
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P261-P280-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number