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138719-65-0 | 1H-Pyrrole-2-carboxylic acid, 4-methyl-3-(4-nitrophenyl)-, ethyl ester
CAS No: 138719-65-0 Catalog No: AG0019FL MDL No:
Product Description
Catalog Number:
AG0019FL
Chemical Name:
1H-Pyrrole-2-carboxylic acid, 4-methyl-3-(4-nitrophenyl)-, ethyl ester
CAS Number:
138719-65-0
Molecular Formula:
C14H14N2O4
Molecular Weight:
274.2720
IUPAC Name:
ethyl 4-methyl-3-(4-nitrophenyl)-1H-pyrrole-2-carboxylate
InChI:
InChI=1S/C14H14N2O4/c1-3-20-14(17)13-12(9(2)8-15-13)10-4-6-11(7-5-10)16(18)19/h4-8,15H,3H2,1-2H3
InChI Key:
HYIBIYOXXRNXIJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1[nH]cc(c1c1ccc(cc1)[N+](=O)[O-])C
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.095g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
274.276g/mol
Monoisotopic Mass:
274.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
87.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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