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102433-05-6 | Urea, N-(cyanophenylmethyl)-N'-(2-hydroxyethyl)-
CAS No: 102433-05-6 Catalog No: AG0007FO MDL No:
Product Description
Catalog Number:
AG0007FO
Chemical Name:
Urea, N-(cyanophenylmethyl)-N'-(2-hydroxyethyl)-
CAS Number:
102433-05-6
Molecular Formula:
C11H13N3O2
Molecular Weight:
219.2398
IUPAC Name:
1-[cyano(phenyl)methyl]-3-(2-hydroxyethyl)urea
InChI:
InChI=1S/C11H13N3O2/c12-8-10(9-4-2-1-3-5-9)14-11(16)13-6-7-15/h1-5,10,15H,6-7H2,(H2,13,14,16)
InChI Key:
IDGXKMQRIHTSDO-UHFFFAOYSA-N
SMILES:
OCCNC(=O)NC(c1ccccc1)C#N
NSC Number:
162386
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.101g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
219.244g/mol
Monoisotopic Mass:
219.101g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
85.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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