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87223-76-5 | Ethyl 2-((2-cyanophenyl);amino);acetate
CAS No: 87223-76-5 Catalog No: AG003Q1C MDL No:MFCD00141059
Product Description
Catalog Number:
AG003Q1C
Chemical Name:
Ethyl 2-((2-cyanophenyl);amino);acetate
CAS Number:
87223-76-5
Molecular Formula:
C11H12N2O2
Molecular Weight:
204.2252
MDL Number:
MFCD00141059
IUPAC Name:
ethyl 2-(2-cyanoanilino)acetate
InChI:
InChI=1S/C11H12N2O2/c1-2-15-11(14)8-13-10-6-4-3-5-9(10)7-12/h3-6,13H,2,8H2,1H3
InChI Key:
SAHHQUFVDZOAEH-UHFFFAOYSA-N
SMILES:
CCOC(=O)CNc1ccccc1C#N
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.09g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.229g/mol
Monoisotopic Mass:
204.09g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
62.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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