| CAS Number | 875305-77-4 |
| Catalog Number | AG00IENZ(AGN-PC-0IDHT5) |
| Chemical Name | 1H-Indole-7-carboxylic acid, 4-chloro- |
| IUPAC Name | 4-chloro-1H-indole-7-carboxylic acid |
| InChI | InChI=1S/C9H6ClNO2/c10-7-2-1-6(9(12)13)8-5(7)3-4-11-8/h1-4,11H,(H,12,13) |
| InChI Key | FSSABPRCBJORSR-UHFFFAOYSA-N |
| MDL Number | MFCD20657673 |
| Molecular Formula | C9H6ClNO2 |
| Molecular Weight | 195.6024 |
| SMILES | C(=O)(O)c1c2c(c(cc1)Cl)cc[nH]2 |
| Synonyms | 4-Chloro-1H-indole-7-carboxylic acid,
875305-77-4,
1H-Indole-7-carboxylic acid, 4-chloro-,
AK128585,
SCHEMBL5187984,
KS-00000RDN,
DTXSID60740339,
FSSABPRCBJORSR-UHFFFAOYSA-N,
3874AC,
MFCD20657673,
ZINC89204697,
AKOS016000908,
DS-5893,
FCH1238038,
SB15934,
AJ-128435,
AX8250647,
C9H6ClNO2,
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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