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102433-38-5 | Urea, N-(2-chloroethyl)-N'-(2,3-dimethoxyphenyl)-
CAS No: 102433-38-5 Catalog No: AG0007GQ MDL No:
Product Description
Catalog Number:
AG0007GQ
Chemical Name:
Urea, N-(2-chloroethyl)-N'-(2,3-dimethoxyphenyl)-
CAS Number:
102433-38-5
Molecular Formula:
C11H15ClN2O3
Molecular Weight:
258.7014
IUPAC Name:
1-(2-chloroethyl)-3-(2,3-dimethoxyphenyl)urea
InChI:
InChI=1S/C11H15ClN2O3/c1-16-9-5-3-4-8(10(9)17-2)14-11(15)13-7-6-12/h3-5H,6-7H2,1-2H3,(H2,13,14,15)
InChI Key:
NIJCLNDMYVQPQX-UHFFFAOYSA-N
SMILES:
COc1c(NC(=O)NCCCl)cccc1OC
NSC Number:
162286
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.077g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
258.702g/mol
Monoisotopic Mass:
258.077g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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