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868656-97-7 | Methyl 6-bromo-1H-indole-3-carboxylate
CAS No: 868656-97-7 Catalog No: AG004ICZ MDL No:MFCD09836005
Product Description
Catalog Number:
AG004ICZ
Chemical Name:
Methyl 6-bromo-1H-indole-3-carboxylate
CAS Number:
868656-97-7
Molecular Formula:
C10H8BrNO2
Molecular Weight:
254.0800
MDL Number:
MFCD09836005
IUPAC Name:
methyl 6-bromo-1H-indole-3-carboxylate
InChI:
InChI=1S/C10H8BrNO2/c1-14-10(13)8-5-12-9-4-6(11)2-3-7(8)9/h2-5,12H,1H3
InChI Key:
SKZJYJMYLUQJPG-UHFFFAOYSA-N
SMILES:
COC(=O)c1c[nH]c2c1ccc(c2)Br
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.974g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.083g/mol
Monoisotopic Mass:
252.974g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Literature
| Title | Journal |
|---|---|
| Investigation of brominated tryptophan alkaloids from two thorectidae sponges: Thorectandra and Smenospongia. | Journal of natural products 20051001 |
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