Home Halogens 1-(2-chloroethyl)-3-(2,2,3,3,4,4,5,5,6,6-decafluorocyclohexyl)-1-nitrosourea

1-(2-chloroethyl)-3-(2,2,3,3,4,4,5,5,6,6-decafluorocyclohexyl)-1-nitrosourea

CAS No.:
78-48-8
Catalog Number:
AG005A39
Molecular Formula:
C9H6ClF10N3O2
Molecular Weight:
413.5999
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Product Description
Catalog Number:
AG005A39
Chemical Name:
1-(2-chloroethyl)-3-(2,2,3,3,4,4,5,5,6,6-decafluorocyclohexyl)-1-nitrosourea
CAS Number:
78-48-8
Molecular Formula:
C9H6ClF10N3O2
Molecular Weight:
413.5999
IUPAC Name:
1-bis(butylsulfanyl)phosphorylsulfanylbutane
InChI:
InChI=1S/C12H27OPS3/c1-4-7-10-15-14(13,16-11-8-5-2)17-12-9-6-3/h4-12H2,1-3H3
InChI Key:
ZOKXUAHZSKEQSS-UHFFFAOYSA-N
SMILES:
ClCCN(C(=O)NC1C(F)(F)C(F)(F)C(C(C1(F)F)(F)F)(F)F)N=O
EC Number:
201-120-8
UNII:
53075G8GRF
Properties
Complexity:
179  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.096g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.501g/mol
Monoisotopic Mass:
314.096g/mol
Rotatable Bond Count:
12  
Topological Polar Surface Area:
93A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
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Properties