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15145-43-4 | Urea, N'-(4-bromophenyl)-N-(2-chloroethyl)-N-nitroso-
CAS No: 15145-43-4 Catalog No: AG001NCW MDL No:
Product Description
Catalog Number:
AG001NCW
Chemical Name:
Urea, N'-(4-bromophenyl)-N-(2-chloroethyl)-N-nitroso-
CAS Number:
15145-43-4
Molecular Formula:
C9H9BrClN3O2
Molecular Weight:
306.5437
IUPAC Name:
3-(4-bromophenyl)-1-(2-chloroethyl)-1-nitrosourea
InChI:
InChI=1S/C9H9BrClN3O2/c10-7-1-3-8(4-2-7)12-9(15)14(13-16)6-5-11/h1-4H,5-6H2,(H,12,15)
InChI Key:
HTQOVPIHQVJTEI-UHFFFAOYSA-N
SMILES:
ClCCN(C(=O)Nc1ccc(cc1)Br)N=O
NSC Number:
106535
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.957g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
306.544g/mol
Monoisotopic Mass:
304.957g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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