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100248-86-0 | Urea, N-(2-chloroethyl)-N'-[(3,4-dimethoxyphenyl)methyl]-
CAS No: 100248-86-0 Catalog No: AG0001DA MDL No:
Product Description
Catalog Number:
AG0001DA
Chemical Name:
Urea, N-(2-chloroethyl)-N'-[(3,4-dimethoxyphenyl)methyl]-
CAS Number:
100248-86-0
Molecular Formula:
C12H17ClN2O3
Molecular Weight:
272.7280
IUPAC Name:
1-(2-chloroethyl)-3-[(3,4-dimethoxyphenyl)methyl]urea
InChI:
InChI=1S/C12H17ClN2O3/c1-17-10-4-3-9(7-11(10)18-2)8-15-12(16)14-6-5-13/h3-4,7H,5-6,8H2,1-2H3,(H2,14,15,16)
InChI Key:
FPSMXWTXEIFDCI-UHFFFAOYSA-N
SMILES:
ClCCNC(=O)NCc1ccc(c(c1)OC)OC
NSC Number:
162108
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.093g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
272.729g/mol
Monoisotopic Mass:
272.093g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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