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102434-20-8 | Urea, N-(2-bromoethyl)-N'-(4-chloro-1-naphthalenyl)-
CAS No: 102434-20-8 Catalog No: AG0007H7 MDL No:
Product Description
Catalog Number:
AG0007H7
Chemical Name:
Urea, N-(2-bromoethyl)-N'-(4-chloro-1-naphthalenyl)-
CAS Number:
102434-20-8
Molecular Formula:
C13H12BrClN2O
Molecular Weight:
327.6042
IUPAC Name:
1-(2-bromoethyl)-3-(4-chloronaphthalen-1-yl)urea
InChI:
InChI=1S/C13H12BrClN2O/c14-7-8-16-13(18)17-12-6-5-11(15)9-3-1-2-4-10(9)12/h1-6H,7-8H2,(H2,16,17,18)
InChI Key:
NEBWHEWBRVODCI-UHFFFAOYSA-N
SMILES:
BrCCNC(=O)Nc1ccc(c2c1cccc2)Cl
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.982g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
327.606g/mol
Monoisotopic Mass:
325.982g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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