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13907-66-9 | Urea, N,N'-bis(2-chloro-1,1-dimethylethyl)-N'-nitroso-
CAS No: 13907-66-9 Catalog No: AG001A4Z MDL No:
Product Description
Catalog Number:
AG001A4Z
Chemical Name:
Urea, N,N'-bis(2-chloro-1,1-dimethylethyl)-N'-nitroso-
CAS Number:
13907-66-9
Molecular Formula:
C9H17Cl2N3O2
Molecular Weight:
270.1562
IUPAC Name:
1,3-bis(1-chloro-2-methylpropan-2-yl)-1-nitrosourea
InChI:
InChI=1S/C9H17Cl2N3O2/c1-8(2,5-10)12-7(15)14(13-16)9(3,4)6-11/h5-6H2,1-4H3,(H,12,15)
InChI Key:
HVMPERYAKFEPQW-UHFFFAOYSA-N
SMILES:
O=NN(C(CCl)(C)C)C(=O)NC(CCl)(C)C
NSC Number:
95984
Properties
Complexity:
270
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:
4
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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