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740813-37-0 | Ethyl 5-bromo-1H-pyrrole-2-carboxylate
CAS No: 740813-37-0 Catalog No: AG0036NX MDL No:MFCD16996077
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
MDL Number:
MFCD16996077
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
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