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Home > Bromides > 1480555-35-8
1480555-35-8 | 1H-Pyrrole-2-carboxylic acid, 4-bromo-1-ethyl-, ethyl ester
CAS No: 1480555-35-8 Catalog No: AG001FEI MDL No:
Product Description
Catalog Number:
AG001FEI
Chemical Name:
1H-Pyrrole-2-carboxylic acid, 4-bromo-1-ethyl-, ethyl ester
CAS Number:
1480555-35-8
Molecular Formula:
C9H12BrNO2
Molecular Weight:
246.1011
IUPAC Name:
ethyl 4-bromo-1-ethylpyrrole-2-carboxylate
InChI:
InChI=1S/C9H12BrNO2/c1-3-11-6-7(10)5-8(11)9(12)13-4-2/h5-6H,3-4H2,1-2H3
InChI Key:
OYWUCXQJMKDLGU-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(cn1CC)Br
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.005g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.104g/mol
Monoisotopic Mass:
245.005g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
31.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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