| CAS Number | 27932-08-7 |
| Catalog Number | AG00BNOB |
| Chemical Name | 4-Chloro-1H-indole-2-carbaldehyde |
| IUPAC Name | 4-chloro-1H-indole-2-carbaldehyde |
| InChI | InChI=1S/C9H6ClNO/c10-8-2-1-3-9-7(8)4-6(5-12)11-9/h1-5,11H |
| InChI Key | XAHAQYQBESAJGT-UHFFFAOYSA-N |
| MDL Number | MFCD11040761 |
| Molecular Formula | C9H6ClNO |
| Molecular Weight | 179.6030 |
| SMILES | O=CC(N1)=CC2=C1C=CC=C2Cl |
| Synonyms | 4-CHLORO-1H-INDOLE-2-CARBALDEHYDE,
27932-08-7,
1H-Indole-2-carboxaldehyde, 4-chloro-,
SCHEMBL7873195,
CTK4G0492,
DTXSID40592974,
KS-00001AI4,
FCH886734,
MFCD11040761,
ZINC37632883,
4-Chloro-1H-indole-2-carboxaldehyde,
AKOS006306296,
ACM27932087,
AM806184,
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| Complexity | 185 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.014g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.603g/mol |
| Monoisotopic Mass | 179.014g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 32.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number