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102434-19-5 | Urea, N-(2-bromoethyl)-N'-(3-bromo-2-naphthalenyl)-
CAS No: 102434-19-5 Catalog No: AG0007H8 MDL No:
Product Description
Catalog Number:
AG0007H8
Chemical Name:
Urea, N-(2-bromoethyl)-N'-(3-bromo-2-naphthalenyl)-
CAS Number:
102434-19-5
Molecular Formula:
C13H12Br2N2O
Molecular Weight:
372.0552
IUPAC Name:
1-(2-bromoethyl)-3-(3-bromonaphthalen-2-yl)urea
InChI:
InChI=1S/C13H12Br2N2O/c14-5-6-16-13(18)17-12-8-10-4-2-1-3-9(10)7-11(12)15/h1-4,7-8H,5-6H2,(H2,16,17,18)
InChI Key:
KKRWNOZAVONGKE-UHFFFAOYSA-N
SMILES:
BrCCNC(=O)Nc1cc2ccccc2cc1Br
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
371.93g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
372.06g/mol
Monoisotopic Mass:
369.932g/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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