Home Halogens methyl 6-chloro-5-methoxy-1H-indole-3-carboxylate

methyl 6-chloro-5-methoxy-1H-indole-3-carboxylate

CAS No.:
2114105-46-1
Catalog Number:
AG01EIJV
Molecular Formula:
C11H10ClNO3
Molecular Weight:
239.6550
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Product Description
Catalog Number:
AG01EIJV
Chemical Name:
methyl 6-chloro-5-methoxy-1H-indole-3-carboxylate
CAS Number:
2114105-46-1
Molecular Formula:
C11H10ClNO3
Molecular Weight:
239.6550
MDL Number:
MFCD31666775
IUPAC Name:
methyl 6-chloro-5-methoxy-1H-indole-3-carboxylate
InChI:
InChI=1S/C11H10ClNO3/c1-15-10-3-6-7(11(14)16-2)5-13-9(6)4-8(10)12/h3-5,13H,1-2H3
InChI Key:
PEMUIROXWOIMKO-UHFFFAOYSA-N
SMILES:
COC(=O)c1c[nH]c2c1cc(OC)c(c2)Cl
Properties
Complexity:
274  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.035g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
239.655g/mol
Monoisotopic Mass:
239.035g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
51.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties