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102434-36-6 | Urea, N-(2-bromoethyl)-N'-(5,6,7,8-tetrahydro-2-naphthalenyl)-
CAS No: 102434-36-6 Catalog No: AG0007H0 MDL No:
Product Description
Catalog Number:
AG0007H0
Chemical Name:
Urea, N-(2-bromoethyl)-N'-(5,6,7,8-tetrahydro-2-naphthalenyl)-
CAS Number:
102434-36-6
Molecular Formula:
C13H17BrN2O
Molecular Weight:
297.1909
IUPAC Name:
1-(2-bromoethyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)urea
InChI:
InChI=1S/C13H17BrN2O/c14-7-8-15-13(17)16-12-6-5-10-3-1-2-4-11(10)9-12/h5-6,9H,1-4,7-8H2,(H2,15,16,17)
InChI Key:
FBYXVCHXMFKRNS-UHFFFAOYSA-N
SMILES:
BrCCNC(=O)Nc1ccc2c(c1)CCCC2
NSC Number:
159960
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.052g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
297.196g/mol
Monoisotopic Mass:
296.052g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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