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100248-74-6 | Urea, N-(2-chloroethyl)-N'-[(2,6-dimethylphenyl)methyl]-
CAS No: 100248-74-6 Catalog No: AG0001DB MDL No:
Product Description
Catalog Number:
AG0001DB
Chemical Name:
Urea, N-(2-chloroethyl)-N'-[(2,6-dimethylphenyl)methyl]-
CAS Number:
100248-74-6
Molecular Formula:
C12H17ClN2O
Molecular Weight:
240.7292
IUPAC Name:
1-(2-chloroethyl)-3-[(2,6-dimethylphenyl)methyl]urea
InChI:
InChI=1S/C12H17ClN2O/c1-9-4-3-5-10(2)11(9)8-15-12(16)14-7-6-13/h3-5H,6-8H2,1-2H3,(H2,14,15,16)
InChI Key:
GHSMMQGSUGSXNU-UHFFFAOYSA-N
SMILES:
ClCCNC(=O)NCc1c(C)cccc1C
NSC Number:
160137
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.103g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
240.731g/mol
Monoisotopic Mass:
240.103g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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