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143879-96-3 | 1H-Pyrrole-2-carboxylic acid, 1-[(2-nitrophenyl)methyl]-, ethyl ester
CAS No: 143879-96-3 Catalog No: AG001IJJ MDL No:
Product Description
Catalog Number:
AG001IJJ
Chemical Name:
1H-Pyrrole-2-carboxylic acid, 1-[(2-nitrophenyl)methyl]-, ethyl ester
CAS Number:
143879-96-3
Molecular Formula:
C14H14N2O4
Molecular Weight:
274.2720
IUPAC Name:
ethyl 1-[(2-nitrophenyl)methyl]pyrrole-2-carboxylate
InChI:
InChI=1S/C14H14N2O4/c1-2-20-14(17)13-8-5-9-15(13)10-11-6-3-4-7-12(11)16(18)19/h3-9H,2,10H2,1H3
InChI Key:
AWOXJGPVRFMBOL-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cccn1Cc1ccccc1[N+](=O)[O-]
Properties
Complexity:
356
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:
0
Isotope Atom Count:
0
Molecular Weight:
274.276g/mol
Monoisotopic Mass:
274.095g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
77A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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