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102434-30-0 | Urea, N-(2-bromoethyl)-N'-[(2-methyl-1-naphthalenyl)methyl]-
CAS No: 102434-30-0 Catalog No: AG0007H3 MDL No:
Product Description
Catalog Number:
AG0007H3
Chemical Name:
Urea, N-(2-bromoethyl)-N'-[(2-methyl-1-naphthalenyl)methyl]-
CAS Number:
102434-30-0
Molecular Formula:
C15H17BrN2O
Molecular Weight:
321.2123
IUPAC Name:
1-(2-bromoethyl)-3-[(2-methylnaphthalen-1-yl)methyl]urea
InChI:
InChI=1S/C15H17BrN2O/c1-11-6-7-12-4-2-3-5-13(12)14(11)10-18-15(19)17-9-8-16/h2-7H,8-10H2,1H3,(H2,17,18,19)
InChI Key:
KGTXKRZKICGBJG-UHFFFAOYSA-N
SMILES:
BrCCNC(=O)NCc1c(C)ccc2c1cccc2
Properties
Complexity:
298
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:
4
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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