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890656-26-5 | 1H-Pyrrole-2-carboxylic acid, 3-amino-4-bromo-, ethyl ester
CAS No: 890656-26-5 Catalog No: AG0041AI MDL No:
Product Description
Catalog Number:
AG0041AI
Chemical Name:
1H-Pyrrole-2-carboxylic acid, 3-amino-4-bromo-, ethyl ester
CAS Number:
890656-26-5
Molecular Formula:
C7H9BrN2O2
Molecular Weight:
233.0626
IUPAC Name:
ethyl 3-amino-4-bromo-1H-pyrrole-2-carboxylate
InChI:
InChI=1S/C7H9BrN2O2/c1-2-12-7(11)6-5(9)4(8)3-10-6/h3,10H,2,9H2,1H3
InChI Key:
PIOAIBWVLBVIMJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(N)c(c[nH]1)Br
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.985g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
233.065g/mol
Monoisotopic Mass:
231.985g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
68.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| Synthesis and biological evaluation of novel pyrrolopyrrolizinones as anticancer agents. | Bioorganic & medicinal chemistry 20061215 |
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