Close
4

Athena Athena

X

CAS 1082040-43-4 manufacturers and suppliers on PharmaCompass

PharmaCompass
4CH-012335
Also known as: 1082040-43-4, 6-fluoro-1h-indole-4-carboxylic acid methyl ester, Mfcd11845444, 6-fluoro indole-4-methylcarboxylate, Methyl6-fluoro-1h-indole-4-carboxylate, Schembl20692462
Molecular Formula
C10H8FNO2
Molecular Weight
193.17  g/mol
InChI Key
CKFPLBCOOZCPOR-UHFFFAOYSA-N

1 2D Structure

4CH-012335

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
methyl 6-fluoro-1H-indole-4-carboxylate
2.1.2 InChI
InChI=1S/C10H8FNO2/c1-14-10(13)8-4-6(11)5-9-7(8)2-3-12-9/h2-5,12H,1H3
2.1.3 InChI Key
CKFPLBCOOZCPOR-UHFFFAOYSA-N
2.1.4 Canonical SMILES
COC(=O)C1=C2C=CNC2=CC(=C1)F
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 1082040-43-4

2. 6-fluoro-1h-indole-4-carboxylic Acid Methyl Ester

3. Mfcd11845444

4. 6-fluoro Indole-4-methylcarboxylate

5. Methyl6-fluoro-1h-indole-4-carboxylate

6. Schembl20692462

7. Amy3368

8. Dtxsid20676504

9. Bcp16872

10. Zinc43220634

11. Akos015852318

12. Cs-w022879

13. Ds-5737

14. Pb29866

15. Ac-30113

16. Da-19155

17. Sy111605

18. Ft-0750547

2.3 Create Date
2010-08-06
3 Chemical and Physical Properties
Molecular Weight 193.17 g/mol
Molecular Formula C10H8FNO2
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass193.05390666 g/mol
Monoisotopic Mass193.05390666 g/mol
Topological Polar Surface Area42.1 Ų
Heavy Atom Count14
Formal Charge0
Complexity234
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
Ask Us for Pharmaceutical Supplier and Partner
Ask Us, Find A Supplier / Partner
No Commissions, No Strings Attached, Get Connected for FREE

What are you looking for?

How can we help you?

The request can't be empty

Please read our Privacy Policy carefully

You must agree to the privacy policy

The name can't be empty
The company can't be empty.
The email can't be empty Please enter a valid email.
The mobile can't be empty
Post Enquiry
POST ENQUIRY