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100129-92-8 | 1H-Pyrrole-2,4-dicarboxylic acid, 5-chloro-3-methyl-, 2,4-diethyl ester
CAS No: 100129-92-8 Catalog No: AG00011J MDL No:
Product Description
Catalog Number:
AG00011J
Chemical Name:
1H-Pyrrole-2,4-dicarboxylic acid, 5-chloro-3-methyl-, 2,4-diethyl ester
CAS Number:
100129-92-8
Molecular Formula:
C11H14ClNO4
Molecular Weight:
259.6862
IUPAC Name:
diethyl 5-chloro-3-methyl-1H-pyrrole-2,4-dicarboxylate
InChI:
InChI=1S/C11H14ClNO4/c1-4-16-10(14)7-6(3)8(13-9(7)12)11(15)17-5-2/h13H,4-5H2,1-3H3
InChI Key:
ZUWDUDSLDPKZHU-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1[nH]c(c(c1C)C(=O)OCC)Cl
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.061g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.686g/mol
Monoisotopic Mass:
259.061g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
68.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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