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156237-78-4 | 1H-Pyrrole-1,2-dicarboxylic acid, 4-bromo-, 1-(1,1-dimethylethyl) 2-methyl ester
CAS No: 156237-78-4 Catalog No: AG001OLL MDL No:MFCD09751125
Product Description
Catalog Number:
AG001OLL
Chemical Name:
1H-Pyrrole-1,2-dicarboxylic acid, 4-bromo-, 1-(1,1-dimethylethyl) 2-methyl ester
CAS Number:
156237-78-4
Molecular Formula:
C11H14BrNO4
Molecular Weight:
304.1372
MDL Number:
MFCD09751125
IUPAC Name:
1-O-tert-butyl 2-O-methyl 4-bromopyrrole-1,2-dicarboxylate
InChI:
InChI=1S/C11H14BrNO4/c1-11(2,3)17-10(15)13-6-7(12)5-8(13)9(14)16-4/h5-6H,1-4H3
InChI Key:
BLWTUIPDLAVPHI-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(cn1C(=O)OC(C)(C)C)Br
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.011g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
304.14g/mol
Monoisotopic Mass:
303.011g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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