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139361-40-3 | Urea, N'-(3-bromophenyl)-N-(2-chloroethyl)-N-nitroso-
CAS No: 139361-40-3 Catalog No: AG001AV0 MDL No:
Product Description
Catalog Number:
AG001AV0
Chemical Name:
Urea, N'-(3-bromophenyl)-N-(2-chloroethyl)-N-nitroso-
CAS Number:
139361-40-3
Molecular Formula:
C9H9BrClN3O2
Molecular Weight:
306.5437
IUPAC Name:
3-(3-bromophenyl)-1-(2-chloroethyl)-1-nitrosourea
InChI:
InChI=1S/C9H9BrClN3O2/c10-7-2-1-3-8(6-7)12-9(15)14(13-16)5-4-11/h1-3,6H,4-5H2,(H,12,15)
InChI Key:
BBHWCRXMFUSKFS-UHFFFAOYSA-N
SMILES:
ClCCN(C(=O)Nc1cccc(c1)Br)N=O
Properties
Complexity:
255
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:
3.4
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