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246236-37-3 | Urea, N-(2-bromoethyl)-N'-(2,4-dichlorophenyl)-
CAS No: 246236-37-3 Catalog No: AG002OUE MDL No:
Product Description
Catalog Number:
AG002OUE
Chemical Name:
Urea, N-(2-bromoethyl)-N'-(2,4-dichlorophenyl)-
CAS Number:
246236-37-3
Molecular Formula:
C9H9BrCl2N2O
Molecular Weight:
311.9906
IUPAC Name:
1-(2-bromoethyl)-3-(2,4-dichlorophenyl)urea
InChI:
InChI=1S/C9H9BrCl2N2O/c10-3-4-13-9(15)14-8-2-1-6(11)5-7(8)12/h1-2,5H,3-4H2,(H2,13,14,15)
InChI Key:
NFSBEQNZQDUGDW-UHFFFAOYSA-N
SMILES:
BrCCNC(=O)Nc1ccc(cc1Cl)Cl
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.928g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
311.988g/mol
Monoisotopic Mass:
309.928g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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