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13907-71-6 | Urea, N,N'-bis(2-bromoethyl)-N'-nitroso-
CAS No: 13907-71-6 Catalog No: AG001A4V MDL No:
Product Description
Catalog Number:
AG001A4V
Chemical Name:
Urea, N,N'-bis(2-bromoethyl)-N'-nitroso-
CAS Number:
13907-71-6
Molecular Formula:
C5H9Br2N3O2
Molecular Weight:
302.9519
IUPAC Name:
1,3-bis(2-bromoethyl)-1-nitrosourea
InChI:
InChI=1S/C5H9Br2N3O2/c6-1-3-8-5(11)10(9-12)4-2-7/h1-4H2,(H,8,11)
InChI Key:
SGLGACDZOVNNDY-UHFFFAOYSA-N
SMILES:
BrCCNC(=O)N(CCBr)N=O
NSC Number:
82189
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.904g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
302.954g/mol
Monoisotopic Mass:
300.906g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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