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102434-32-2 | Urea, N-(2-bromoethyl)-N'-[2-(1-naphthalenyl)ethyl]-
CAS No: 102434-32-2 Catalog No: AG0007H2 MDL No:
Product Description
Catalog Number:
AG0007H2
Chemical Name:
Urea, N-(2-bromoethyl)-N'-[2-(1-naphthalenyl)ethyl]-
CAS Number:
102434-32-2
Molecular Formula:
C15H17BrN2O
Molecular Weight:
321.2123
IUPAC Name:
1-(2-bromoethyl)-3-(2-naphthalen-1-ylethyl)urea
InChI:
InChI=1S/C15H17BrN2O/c16-9-11-18-15(19)17-10-8-13-6-3-5-12-4-1-2-7-14(12)13/h1-7H,8-11H2,(H2,17,18,19)
InChI Key:
MCBJTMUMVUJPLO-UHFFFAOYSA-N
SMILES:
BrCCNC(=O)NCCc1cccc2c1cccc2
NSC Number:
136009
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.052g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
321.218g/mol
Monoisotopic Mass:
320.052g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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