Methyl 3-iodo-1H-indole-2-carboxylate - CAS 534595-85-2
Catalog: |
BB060177 |
Product Name: |
Methyl 3-iodo-1H-indole-2-carboxylate |
CAS: |
534595-85-2 |
Synonyms: |
methyl 3-iodo-1H-indole-2-carboxylate; 3-iodo-indole-2-carboxylic Acid Methyl Ester; 3-Iodo-1H-indole-2-carboxylic acid methyl ester |
IUPAC Name: | methyl 3-iodo-1H-indole-2-carboxylate |
Description: | Methyl 3-iodo-1H-indole-2-carboxylate |
Molecular Weight: | 301.08 |
Molecular Formula: | C10H8INO2 |
Canonical SMILES: | COC(=O)C1=C(C2=CC=CC=C2N1)I |
InChI: | InChI=1S/C10H8INO2/c1-14-10(13)9-8(11)6-4-2-3-5-7(6)12-9/h2-5,12H,1H3 |
InChI Key: | PBUCSGICMRIPAA-UHFFFAOYSA-N |
Complexity: | 234 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 300.95998 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 300.95998 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 42.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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