| CAS Number | 885520-25-2 |
| Catalog Number | AG00IF6I(AGN-PC-0WA4LU) |
| Chemical Name | 1H-Indole-6-carboxylic acid, 4-chloro- |
| IUPAC Name | 4-chloro-1H-indole-6-carboxylic acid |
| InChI | InChI=1S/C9H6ClNO2/c10-7-3-5(9(12)13)4-8-6(7)1-2-11-8/h1-4,11H,(H,12,13) |
| InChI Key | CGMAXGRAWALUNT-UHFFFAOYSA-N |
| MDL Number | MFCD07781703 |
| Molecular Formula | C9H6ClNO2 |
| Molecular Weight | 195.6024 |
| SMILES | c1c[nH]c2c1c(cc(c2)C(=O)O)Cl |
| Synonyms | 4-CHLORO-1H-INDOLE-6-CARBOXYLIC ACID,
885520-25-2,
SCHEMBL3548319,
DTXSID10646332,
4-Chloro-6-indole carboxylic acid,
FCH857354,
MFCD07781703,
ZINC14983734,
AKOS006286404,
SB15216,
1h-indole-6-carboxylic acid,4-chloro-,
KS-000005W5,
AK167350,
AS-41407,
SC-68868,
CS-0050949,
FT-0743232,
W-3273,
1H-INDOLE-6-CARBOXYLIC ACID, 4-CHLORO-,
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| Complexity | 222 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.009g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.602g/mol |
| Monoisotopic Mass | 195.009g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 53.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number