Home Halogens Ethyl 5-bromo-1H-pyrrole-2-carboxylate

Ethyl 5-bromo-1H-pyrrole-2-carboxylate

CAS No.:
740813-37-0
Catalog Number:
AG0036NX
Molecular Formula:
C7H8BrNO2
Molecular Weight:
218.0479
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Product Description
Catalog Number:
AG0036NX
Chemical Name:
Ethyl 5-bromo-1H-pyrrole-2-carboxylate
CAS Number:
740813-37-0
Molecular Formula:
C7H8BrNO2
Molecular Weight:
218.0479
IUPAC Name:
ethyl 5-bromo-1H-pyrrole-2-carboxylate
InChI:
InChI=1S/C7H8BrNO2/c1-2-11-7(10)5-3-4-6(8)9-5/h3-4,9H,2H2,1H3
InChI Key:
MAWSPHLRAHWQKY-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc([nH]1)Br
Properties
Complexity:
151  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.974g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
218.05g/mol
Monoisotopic Mass:
216.974g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties