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Home > Bromides > 1227269-20-6
1227269-20-6 | 1H-Indole-4-carboxylic acid, 6-bromo-3-iodo-, methyl ester
CAS No: 1227269-20-6 Catalog No: AG000J55 MDL No:
Product Description
Catalog Number:
AG000J55
Chemical Name:
1H-Indole-4-carboxylic acid, 6-bromo-3-iodo-, methyl ester
CAS Number:
1227269-20-6
Molecular Formula:
C10H7BrINO2
Molecular Weight:
379.9766
IUPAC Name:
methyl 6-bromo-3-iodo-1H-indole-4-carboxylate
InChI:
InChI=1S/C10H7BrINO2/c1-15-10(14)6-2-5(11)3-8-9(6)7(12)4-13-8/h2-4,13H,1H3
InChI Key:
GFIRPFQYUVMNGA-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Br)cc2c1c(I)c[nH]2
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
378.87g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
379.979g/mol
Monoisotopic Mass:
378.87g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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