Home Other Building Blocks 3-ethynyl-N-(furan-2-ylmethyl)aniline

3-ethynyl-N-(furan-2-ylmethyl)aniline

CAS No.:
369363-98-4
Catalog Number:
AG01AAFN
Molecular Formula:
C13H11NO
Molecular Weight:
197.2325
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Product Description
Catalog Number:
AG01AAFN
Chemical Name:
3-ethynyl-N-(furan-2-ylmethyl)aniline
CAS Number:
369363-98-4
Molecular Formula:
C13H11NO
Molecular Weight:
197.2325
MDL Number:
MFCD11138205
IUPAC Name:
3-ethynyl-N-(furan-2-ylmethyl)aniline
InChI:
InChI=1S/C13H11NO/c1-2-11-5-3-6-12(9-11)14-10-13-7-4-8-15-13/h1,3-9,14H,10H2
InChI Key:
GAFNCQVEKQSJHY-UHFFFAOYSA-N
SMILES:
C#Cc1cccc(c1)NCc1ccco1
Properties
Complexity:
242  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.084g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
197.237g/mol
Monoisotopic Mass:
197.084g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
25.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties