1-(2-bromophenyl)-3-(7-cyano-2H-benzotriazol-4-yl)urea


Chemical Name: 1-(2-bromophenyl)-3-(7-cyano-2H-benzotriazol-4-yl)urea
CAS Number: 211096-49-0
Product Number: AG002L5G(AGN-PC-0MUENH)
Synonyms:
MDL No: MFCD09971124
Molecular Formula: C14H9BrN6O
Molecular Weight: 357.1649

Identification/Properties


Computed Properties
Molecular Weight:
357.171g/mol
XLogP3:
2
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
356.002g/mol
Monoisotopic Mass:
356.002g/mol
Topological Polar Surface Area:
107A^2
Heavy Atom Count:
22
Formal Charge:
0
Complexity:
466
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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