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102434-11-7 | Urea, N,N-bis(2-bromoethyl)-N'-1-naphthalenyl-
CAS No: 102434-11-7 Catalog No: AG0007H9 MDL No:
Product Description
Catalog Number:
AG0007H9
Chemical Name:
Urea, N,N-bis(2-bromoethyl)-N'-1-naphthalenyl-
CAS Number:
102434-11-7
Molecular Formula:
C15H16Br2N2O
Molecular Weight:
400.1083
IUPAC Name:
1,1-bis(2-bromoethyl)-3-naphthalen-1-ylurea
InChI:
InChI=1S/C15H16Br2N2O/c16-8-10-19(11-9-17)15(20)18-14-7-3-5-12-4-1-2-6-13(12)14/h1-7H,8-11H2,(H,18,20)
InChI Key:
HVUKGCFZISLAKF-UHFFFAOYSA-N
SMILES:
BrCCN(C(=O)Nc1cccc2c1cccc2)CCBr
NSC Number:
106907
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
399.961g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
400.114g/mol
Monoisotopic Mass:
397.963g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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