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Home > Bromides > 1598381-37-3
1598381-37-3 | 1H-Pyrrole-3-carboxylic acid, 2,5-dibromo-, methyl ester
CAS No: 1598381-37-3 Catalog No: AG001RF9 MDL No:
Product Description
Catalog Number:
AG001RF9
Chemical Name:
1H-Pyrrole-3-carboxylic acid, 2,5-dibromo-, methyl ester
CAS Number:
1598381-37-3
Molecular Formula:
C6H5Br2NO2
Molecular Weight:
282.9174
IUPAC Name:
methyl 2,5-dibromo-1H-pyrrole-3-carboxylate
InChI:
InChI=1S/C6H5Br2NO2/c1-11-6(10)3-2-4(7)9-5(3)8/h2,9H,1H3
InChI Key:
WTJWVXZBIRNQQJ-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc([nH]c1Br)Br
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.867g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
282.919g/mol
Monoisotopic Mass:
280.869g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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