Home Other Building Blocks 1-(3-cyanophenyl)-3-(prop-2-yn-1-yl)urea

1-(3-cyanophenyl)-3-(prop-2-yn-1-yl)urea

CAS No.:
1249604-40-7
Catalog Number:
AG01AJXY
Molecular Formula:
C11H9N3O
Molecular Weight:
199.2087
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Product Description
Catalog Number:
AG01AJXY
Chemical Name:
1-(3-cyanophenyl)-3-(prop-2-yn-1-yl)urea
CAS Number:
1249604-40-7
Molecular Formula:
C11H9N3O
Molecular Weight:
199.2087
MDL Number:
MFCD14631636
IUPAC Name:
1-(3-cyanophenyl)-3-prop-2-ynylurea
InChI:
InChI=1S/C11H9N3O/c1-2-6-13-11(15)14-10-5-3-4-9(7-10)8-12/h1,3-5,7H,6H2,(H2,13,14,15)
InChI Key:
UAGGJZBTIDXEDY-UHFFFAOYSA-N
SMILES:
C#CCNC(=O)Nc1cccc(c1)C#N
Properties
Complexity:
319  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.075g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
199.213g/mol
Monoisotopic Mass:
199.075g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties