| CAS Number | 330195-72-7 |
| Catalog Number | AG00I6CS(AGN-PC-0WD6E9) |
| Chemical Name | methyl 5-iodo-1H-indole-3-carboxylate |
| IUPAC Name | methyl 5-iodo-1H-indole-3-carboxylate |
| InChI | InChI=1S/C10H8INO2/c1-14-10(13)8-5-12-9-3-2-6(11)4-7(8)9/h2-5,12H,1H3 |
| InChI Key | WKUSKHAFKQXDPX-UHFFFAOYSA-N |
| MDL Number | MFCD09836012 |
| Molecular Formula | C10H8INO2 |
| Molecular Weight | 301.0805 |
| SMILES | C(=O)(OC)c1c2c([nH]c1)ccc(c2)I |
| Synonyms | methyl 5-iodo-1H-indole-3-carboxylate,
330195-72-7,
5-IODO-1H-INDOLE-3-CARBOXYLIC ACID METHYL ESTER,
1H-Indole-3-carboxylic acid, 5-iodo-, methyl ester,
SCHEMBL15300704,
WKUSKHAFKQXDPX-UHFFFAOYSA-N,
4311AJ,
MFCD09836012,
ZINC98181556,
AKOS024262498,
FCH1394013,
AJ-142663,
AX8292241,
CS-0061859,
FT-0760500,
C10H8INO2,
|
| Complexity | 234 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 300.96g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 301.083g/mol |
| Monoisotopic Mass | 300.96g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 42.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
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Hazard Class
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\N
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Hazard statements
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H302-H315-H319-H335
|
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Packing Group
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\N
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Precautionary statements
|
P261-P305+P351+P338
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|
UN Code
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\N
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Certificate of Analysis
Lot Number