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102434-29-7 | Urea, N'-(2-bromoethyl)-N-methyl-N-1-naphthalenyl-
CAS No: 102434-29-7 Catalog No: AG0007H4 MDL No:
Product Description
Catalog Number:
AG0007H4
Chemical Name:
Urea, N'-(2-bromoethyl)-N-methyl-N-1-naphthalenyl-
CAS Number:
102434-29-7
Molecular Formula:
C14H15BrN2O
Molecular Weight:
307.1857
IUPAC Name:
3-(2-bromoethyl)-1-methyl-1-naphthalen-1-ylurea
InChI:
InChI=1S/C14H15BrN2O/c1-17(14(18)16-10-9-15)13-8-4-6-11-5-2-3-7-12(11)13/h2-8H,9-10H2,1H3,(H,16,18)
InChI Key:
WVJVTGNCRLVKTL-UHFFFAOYSA-N
SMILES:
BrCCNC(=O)N(c1cccc2c1cccc2)C
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.037g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
307.191g/mol
Monoisotopic Mass:
306.037g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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