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

1-(3-cyanophenyl)-3-(propan-2-yl)urea

CAS No.:
1038255-83-2
Catalog Number:
AG019MNL
Molecular Formula:
C11H13N3O
Molecular Weight:
203.2404
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Product Description
Catalog Number:
AG019MNL
Chemical Name:
1-(3-cyanophenyl)-3-(propan-2-yl)urea
CAS Number:
1038255-83-2
Molecular Formula:
C11H13N3O
Molecular Weight:
203.2404
MDL Number:
MFCD11099418
IUPAC Name:
1-(3-cyanophenyl)-3-propan-2-ylurea
InChI:
InChI=1S/C11H13N3O/c1-8(2)13-11(15)14-10-5-3-4-9(6-10)7-12/h3-6,8H,1-2H3,(H2,13,14,15)
InChI Key:
GPMJJEPFKGJZOA-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)NC(=O)NC(C)C
Properties
Complexity:
266  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.106g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
203.245g/mol
Monoisotopic Mass:
203.106g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties