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13907-72-7

13907-72-7 | Urea, N-(2-bromoethyl)-N'-cyclohexyl-N-nitroso-

CAS No: 13907-72-7 Catalog No: AG001A4U MDL No:

Product Description

Catalog Number:
AG001A4U
Chemical Name:
Urea, N-(2-bromoethyl)-N'-cyclohexyl-N-nitroso-
CAS Number:
13907-72-7
Molecular Formula:
C9H16BrN3O2
Molecular Weight:
278.1462
IUPAC Name:
1-(2-bromoethyl)-3-cyclohexyl-1-nitrosourea
InChI:
InChI=1S/C9H16BrN3O2/c10-6-7-13(12-15)9(14)11-8-4-2-1-3-5-8/h8H,1-7H2,(H,11,14)
InChI Key:
DEXQOZBXZOOXKW-UHFFFAOYSA-N
SMILES:
BrCCN(C(=O)NC1CCCCC1)N=O
NSC Number:
82182

Properties

Complexity:
219  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.043g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
278.15g/mol
Monoisotopic Mass:
277.043g/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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