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CAS Number: 3093-97-8
6-fluoro-1H-indole-2-carboxylic acid

Structure

6-fluoro-1H-indole-2-carboxylic acid
Name: 6-fluoro-1H-indole-2-carboxylic acid
Synonyms:
General Information
Product Number: 3093978

CAS Registry Number 3093-97-8
Name:
1H-?Indole-?2-?carboxylic acid, 6-?fluoro-
Indole-2-carboxylic acid, 6-fluoro- (6CI,7CI,8CI)
2-Carboxy-6-fluoroindole
6-Fluoro-1H-indole-2-carboxylic acid

 

Chemical Formula: C9H6FNO2
Exact Mass: 179.04
Molecular Weight: 179.15
m/z: 179.04 (100.0%), 180.04 (10.2%)

 

InChI:InChI=1S/C9H6FNO2/c10-6-2-1-5-3-8(9(12)13)11-7(5)4-6/h1-4,11H,(H,12,13)

InChI Key:LRTIKMXIKAOCDM-UHFFFAOYSA-N

Canonical SMILES:C1=CC2=C(C=C1F)NC(=C2)C(=O)O

 

Thermal Properties Value Condition Note
Melting Point 247 °C   (3)CAS
Melting Point 246 °C (decomp)   (4)CAS
Melting Point 244 °C   (5)CAS
Melting Point 241 °C   (1)CAS
Melting Point >220 °C   (6)CAS
Melting Point 220 °C Solv: water (7732-18-5); methanol (67-56-1) (7)CAS

Specification

98%

References
  1. (1) Varnavas, A.; Medicinal Chemistry 2005, V1(5), P501-517 CAPLUS
  2. (3) Zhang, Fan; European Journal of Medicinal Chemistry 2011, V46(7), P3149-3157 CAPLUS
  3. (4) Allen, F. L.; Journal of the Chemical Society 1955, P1283-6 CAPLUS
  4. (5) Blair, Joseph B.; Journal of Medicinal Chemistry 2000, V43(24), P4701-4710 CAPLUS
  5. (6) GB 846675 1960 CAPLUS
  6. (7) Allais, Andre; US 3042685 1962 CAPLUS
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