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14039-09-9 | Urea, N-(2-chloroethyl)-N-nitroso-N'-(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)-
CAS No: 14039-09-9 Catalog No: AG001CCG MDL No:
Product Description
Catalog Number:
AG001CCG
Chemical Name:
Urea, N-(2-chloroethyl)-N-nitroso-N'-(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)-
CAS Number:
14039-09-9
Molecular Formula:
C13H22ClN3O2
Molecular Weight:
287.7857
IUPAC Name:
1-(2-chloroethyl)-1-nitroso-3-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)urea
InChI:
InChI=1S/C13H22ClN3O2/c1-12(2)9-4-5-13(12,3)10(8-9)15-11(18)17(16-19)7-6-14/h9-10H,4-8H2,1-3H3,(H,15,18)
InChI Key:
PSVOVCYLWSNOED-UHFFFAOYSA-N
SMILES:
ClCCN(C(=O)NC1CC2C(C1(C)CC2)(C)C)N=O
NSC Number:
93199
Properties
Complexity:
388
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.14g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
287.788g/mol
Monoisotopic Mass:
287.14g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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