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13907-65-8 | Urea, N,N'-bis[1-(chloromethyl)propyl]-N'-nitroso-
CAS No: 13907-65-8 Catalog No: AG001A50 MDL No:
Product Description
Catalog Number:
AG001A50
Chemical Name:
Urea, N,N'-bis[1-(chloromethyl)propyl]-N'-nitroso-
CAS Number:
13907-65-8
Molecular Formula:
C9H17Cl2N3O2
Molecular Weight:
270.1562
IUPAC Name:
1,3-bis(1-chlorobutan-2-yl)-1-nitrosourea
InChI:
InChI=1S/C9H17Cl2N3O2/c1-3-7(5-10)12-9(15)14(13-16)8(4-2)6-11/h7-8H,3-6H2,1-2H3,(H,12,15)
InChI Key:
DCJOIBGRIXKUPG-UHFFFAOYSA-N
SMILES:
CCC(NC(=O)N(C(CCl)CC)N=O)CCl
NSC Number:
95462
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.07g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
270.154g/mol
Monoisotopic Mass:
269.07g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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