Home Halogens 3-(2-chloroethyl)-1-(3-cyanophenyl)urea

3-(2-chloroethyl)-1-(3-cyanophenyl)urea

CAS No.:
803729-99-9
Catalog Number:
AG01BEVW
Molecular Formula:
C10H10ClN3O
Molecular Weight:
223.6589
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Product Description
Catalog Number:
AG01BEVW
Chemical Name:
3-(2-chloroethyl)-1-(3-cyanophenyl)urea
CAS Number:
803729-99-9
Molecular Formula:
C10H10ClN3O
Molecular Weight:
223.6589
MDL Number:
MFCD14586696
IUPAC Name:
1-(2-chloroethyl)-3-(3-cyanophenyl)urea
InChI:
InChI=1S/C10H10ClN3O/c11-4-5-13-10(15)14-9-3-1-2-8(6-9)7-12/h1-3,6H,4-5H2,(H2,13,14,15)
InChI Key:
FSRACBNBALMZQG-UHFFFAOYSA-N
SMILES:
ClCCNC(=O)Nc1cccc(c1)C#N
Properties
Complexity:
261  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.051g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
223.66g/mol
Monoisotopic Mass:
223.051g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties