Home Halogens Methyl 6-chloro-5-fluoro-1H-indole-2-carboxylate

Methyl 6-chloro-5-fluoro-1H-indole-2-carboxylate

CAS No.:
1067658-29-0
Catalog Number:
AG0096NU
Molecular Formula:
C10H7ClFNO2
Molecular Weight:
227.6195
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Product Description
Catalog Number:
AG0096NU
Chemical Name:
Methyl 6-chloro-5-fluoro-1H-indole-2-carboxylate
CAS Number:
1067658-29-0
Molecular Formula:
C10H7ClFNO2
Molecular Weight:
227.6195
MDL Number:
MFCD12964182
IUPAC Name:
methyl 6-chloro-5-fluoro-1H-indole-2-carboxylate
InChI:
InChI=1S/C10H7ClFNO2/c1-15-10(14)9-3-5-2-7(12)6(11)4-8(5)13-9/h2-4,13H,1H3
InChI Key:
XDQKXGXEXMQZGB-UHFFFAOYSA-N
SMILES:
COC(=O)c1[nH]c2c(c1)cc(c(c2)Cl)F
Properties
Complexity:
264  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.015g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
227.619g/mol
Monoisotopic Mass:
227.015g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties