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878551-12-3 | Phenol, 4-bromo-2-(1H-1,2,4-triazol-3-ylazo)-
CAS No: 878551-12-3 Catalog No: AG004JFC MDL No:
Product Description
Catalog Number:
AG004JFC
Chemical Name:
Phenol, 4-bromo-2-(1H-1,2,4-triazol-3-ylazo)-
CAS Number:
878551-12-3
Molecular Formula:
C8H6BrN5O
Molecular Weight:
268.0701
IUPAC Name:
4-bromo-2-(1H-1,2,4-triazol-5-yldiazenyl)phenol
InChI:
InChI=1S/C8H6BrN5O/c9-5-1-2-7(15)6(3-5)12-14-8-10-4-11-13-8/h1-4,15H,(H,10,11,13)
InChI Key:
IYVYNUYPBOPMDF-UHFFFAOYSA-N
SMILES:
Brc1ccc(c(c1)N=Nc1n[nH]cn1)O
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.976g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
268.074g/mol
Monoisotopic Mass:
266.976g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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