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15145-45-6 | Urea, N-(2-bromoethyl)-N'-(4-methylphenyl)-N-nitroso-
CAS No: 15145-45-6 Catalog No: AG001NCU MDL No:
Product Description
Catalog Number:
AG001NCU
Chemical Name:
Urea, N-(2-bromoethyl)-N'-(4-methylphenyl)-N-nitroso-
CAS Number:
15145-45-6
Molecular Formula:
C10H12BrN3O2
Molecular Weight:
286.1252
IUPAC Name:
1-(2-bromoethyl)-3-(4-methylphenyl)-1-nitrosourea
InChI:
InChI=1S/C10H12BrN3O2/c1-8-2-4-9(5-3-8)12-10(15)14(13-16)7-6-11/h2-5H,6-7H2,1H3,(H,12,15)
InChI Key:
IOLOEJLZQNWNBE-UHFFFAOYSA-N
SMILES:
BrCCN(C(=O)Nc1ccc(cc1)C)N=O
NSC Number:
106530
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.011g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
286.129g/mol
Monoisotopic Mass:
285.011g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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