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88465-71-8 | Urea, N'-[4-(1-bromoethyl)-3-chlorophenyl]-N-methoxy-N-methyl-
CAS No: 88465-71-8 Catalog No: AG004C8O MDL No:
Product Description
Catalog Number:
AG004C8O
Chemical Name:
Urea, N'-[4-(1-bromoethyl)-3-chlorophenyl]-N-methoxy-N-methyl-
CAS Number:
88465-71-8
Molecular Formula:
C11H14BrClN2O2
Molecular Weight:
321.5981
IUPAC Name:
3-[4-(1-bromoethyl)-3-chlorophenyl]-1-methoxy-1-methylurea
InChI:
InChI=1S/C11H14BrClN2O2/c1-7(12)9-5-4-8(6-10(9)13)14-11(16)15(2)17-3/h4-7H,1-3H3,(H,14,16)
InChI Key:
LNENZWDPYDDGSN-UHFFFAOYSA-N
SMILES:
CON(C(=O)Nc1ccc(c(c1)Cl)C(Br)C)C
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.993g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
321.599g/mol
Monoisotopic Mass:
319.993g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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