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1442447-48-4 | 1H-Pyrrole-1-carboxylic acid, 3,4-dibromo-2,5-dihydro-2,5-dioxo-, methyl ester
CAS No: 1442447-48-4 Catalog No: AG001J5R MDL No:MFCD26793790
Product Description
Catalog Number:
AG001J5R
Chemical Name:
1H-Pyrrole-1-carboxylic acid, 3,4-dibromo-2,5-dihydro-2,5-dioxo-, methyl ester
CAS Number:
1442447-48-4
Molecular Formula:
C6H3Br2NO4
Molecular Weight:
312.9003
MDL Number:
MFCD26793790
IUPAC Name:
methyl 3,4-dibromo-2,5-dioxopyrrole-1-carboxylate
InChI:
InChI=1S/C6H3Br2NO4/c1-13-6(12)9-4(10)2(7)3(8)5(9)11/h1H3
InChI Key:
YVESAOJZLFCAHI-UHFFFAOYSA-N
SMILES:
COC(=O)N1C(=O)C(=C(C1=O)Br)Br
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.841g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.901g/mol
Monoisotopic Mass:
310.843g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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