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929017-77-6 | 1H-Pyrrole-2,4-dicarboxylic acid, 1-(2-bromoethyl)-, 2,4-dimethyl ester
CAS No: 929017-77-6 Catalog No: AG01EZBG MDL No:
Product Description
Catalog Number:
AG01EZBG
Chemical Name:
1H-Pyrrole-2,4-dicarboxylic acid, 1-(2-bromoethyl)-, 2,4-dimethyl ester
CAS Number:
929017-77-6
Molecular Formula:
C10H12BrNO4
Molecular Weight:
290.1106
IUPAC Name:
dimethyl 1-(2-bromoethyl)pyrrole-2,4-dicarboxylate
InChI:
InChI=1S/C10H12BrNO4/c1-15-9(13)7-5-8(10(14)16-2)12(6-7)4-3-11/h5-6H,3-4H2,1-2H3
InChI Key:
PMSVQDMEBVQEHZ-UHFFFAOYSA-N
SMILES:
BrCCn1cc(cc1C(=O)OC)C(=O)OC
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.995g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.113g/mol
Monoisotopic Mass:
288.995g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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