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1198-71-6 | 1H-Pyrrole-2-carboxylic acid, 4,5-dibromo-1-methyl-, methyl ester
CAS No: 1198-71-6 Catalog No: AG000POO MDL No:MFCD25956429
Product Description
Catalog Number:
AG000POO
Chemical Name:
1H-Pyrrole-2-carboxylic acid, 4,5-dibromo-1-methyl-, methyl ester
CAS Number:
1198-71-6
Molecular Formula:
C7H7Br2NO2
Molecular Weight:
296.9440
MDL Number:
MFCD25956429
IUPAC Name:
methyl 4,5-dibromo-1-methylpyrrole-2-carboxylate
InChI:
InChI=1S/C7H7Br2NO2/c1-10-5(7(11)12-2)3-4(8)6(10)9/h3H,1-2H3
InChI Key:
UTOZAUBXQWRZIF-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(c(n1C)Br)Br
NSC Number:
622156
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.882g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.946g/mol
Monoisotopic Mass:
294.884g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
31.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Literature
| Title | Journal |
|---|---|
| From anti-fouling to biofilm inhibition: new cytotoxic secondary metabolites from two Indonesian Agelas sponges. | Bioorganic & medicinal chemistry 20100201 |
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