Home Aminos methyl 3-[2-(3-aminophenyl)ethynyl]benzoate

methyl 3-[2-(3-aminophenyl)ethynyl]benzoate

CAS No.:
930396-02-4
Catalog Number:
AG019KO4
Molecular Formula:
C16H13NO2
Molecular Weight:
251.2799
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Product Description
Catalog Number:
AG019KO4
Chemical Name:
methyl 3-[2-(3-aminophenyl)ethynyl]benzoate
CAS Number:
930396-02-4
Molecular Formula:
C16H13NO2
Molecular Weight:
251.2799
MDL Number:
MFCD09388769
IUPAC Name:
methyl 3-[2-(3-aminophenyl)ethynyl]benzoate
InChI:
InChI=1S/C16H13NO2/c1-19-16(18)14-6-2-4-12(10-14)8-9-13-5-3-7-15(17)11-13/h2-7,10-11H,17H2,1H3
InChI Key:
QMYBRFSACGHKPH-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc(c1)C#Cc1cccc(c1)N
Properties
Complexity:
379  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.095g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
251.285g/mol
Monoisotopic Mass:
251.095g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Properties