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13908-03-7 | Urea, N-(2-bromoethyl)-N'-(2-chloroethyl)-
CAS No: 13908-03-7 Catalog No: AG001A5N MDL No:MFCD25958768
Product Description
Catalog Number:
AG001A5N
Chemical Name:
Urea, N-(2-bromoethyl)-N'-(2-chloroethyl)-
CAS Number:
13908-03-7
Molecular Formula:
C5H10BrClN2O
Molecular Weight:
229.5027
MDL Number:
MFCD25958768
IUPAC Name:
1-(2-bromoethyl)-3-(2-chloroethyl)urea
InChI:
InChI=1S/C5H10BrClN2O/c6-1-3-8-5(10)9-4-2-7/h1-4H2,(H2,8,9,10)
InChI Key:
RWLQJOISZATOOX-UHFFFAOYSA-N
SMILES:
ClCCNC(=O)NCCBr
NSC Number:
81167
Properties
Complexity:
102
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.967g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
229.502g/mol
Monoisotopic Mass:
227.967g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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