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13907-53-4 | Urea, N-(2-chloroethyl)-N'-2-naphthalenyl-N-nitroso-
CAS No: 13907-53-4 Catalog No: AG001A58 MDL No:
Product Description
Catalog Number:
AG001A58
Chemical Name:
Urea, N-(2-chloroethyl)-N'-2-naphthalenyl-N-nitroso-
CAS Number:
13907-53-4
Molecular Formula:
C13H12ClN3O2
Molecular Weight:
277.7063
IUPAC Name:
1-(2-chloroethyl)-3-naphthalen-2-yl-1-nitrosourea
InChI:
InChI=1S/C13H12ClN3O2/c14-7-8-17(16-19)13(18)15-12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9H,7-8H2,(H,15,18)
InChI Key:
ROTOWMSDOZXALA-UHFFFAOYSA-N
SMILES:
ClCCN(C(=O)Nc1ccc2c(c1)cccc2)N=O
NSC Number:
85384
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.062g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
277.708g/mol
Monoisotopic Mass:
277.062g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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