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105193-17-7 | 4'-Amino-biphenyl-4-carboxylic acid ethyl ester
CAS No: 105193-17-7 Catalog No: AG01F9PD MDL No:
Product Description
Catalog Number:
AG01F9PD
Chemical Name:
4'-Amino-biphenyl-4-carboxylic acid ethyl ester
CAS Number:
105193-17-7
Molecular Formula:
C15H15NO2
Molecular Weight:
241.2851
IUPAC Name:
ethyl 4-(4-aminophenyl)benzoate
InChI:
InChI=1S/C15H15NO2/c1-2-18-15(17)13-5-3-11(4-6-13)12-7-9-14(16)10-8-12/h3-10H,2,16H2,1H3
InChI Key:
PPAWFPVAVHKGPT-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(cc1)c1ccc(cc1)N
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.11g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
241.29g/mol
Monoisotopic Mass:
241.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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