Home Other Building Blocks (3-ethynylphenyl)urea

(3-ethynylphenyl)urea

CAS No.:
1017034-89-7
Catalog Number:
AG019U0Y
Molecular Formula:
C9H8N2O
Molecular Weight:
160.1726
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Product Description
Catalog Number:
AG019U0Y
Chemical Name:
(3-ethynylphenyl)urea
CAS Number:
1017034-89-7
Molecular Formula:
C9H8N2O
Molecular Weight:
160.1726
MDL Number:
MFCD09938578
IUPAC Name:
(3-ethynylphenyl)urea
InChI:
InChI=1S/C9H8N2O/c1-2-7-4-3-5-8(6-7)11-9(10)12/h1,3-6H,(H3,10,11,12)
InChI Key:
JXYKVQKWRHFXCJ-UHFFFAOYSA-N
SMILES:
C#Cc1cccc(c1)NC(=O)N
Properties
Complexity:
216  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.064g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
160.176g/mol
Monoisotopic Mass:
160.064g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties