Home Halogens methyl 5-bromo-6-methyl-1H-indole-3-carboxylate

methyl 5-bromo-6-methyl-1H-indole-3-carboxylate

CAS No.:
1360957-60-3
Catalog Number:
AG00HUGQ
Molecular Formula:
C11H10BrNO2
Molecular Weight:
268.1066
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Product Description
Catalog Number:
AG00HUGQ
Chemical Name:
methyl 5-bromo-6-methyl-1H-indole-3-carboxylate
CAS Number:
1360957-60-3
Molecular Formula:
C11H10BrNO2
Molecular Weight:
268.1066
IUPAC Name:
methyl 5-bromo-6-methyl-1H-indole-3-carboxylate
InChI:
InChI=1S/C11H10BrNO2/c1-6-3-10-7(4-9(6)12)8(5-13-10)11(14)15-2/h3-5,13H,1-2H3
InChI Key:
FETNEJOMKCGBMH-UHFFFAOYSA-N
SMILES:
COC(=O)c1c[nH]c2c1cc(Br)c(c2)C
Properties
Complexity:
259  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.989g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
268.11g/mol
Monoisotopic Mass:
266.989g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Properties