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119191-00-3 | Phenol, 2-[3-[4-(2-phenyldiazenyl)phenyl]-2-triazen-1-yl]-
CAS No: 119191-00-3 Catalog No: AG000IB9 MDL No:
Product Description
Catalog Number:
AG000IB9
Chemical Name:
Phenol, 2-[3-[4-(2-phenyldiazenyl)phenyl]-2-triazen-1-yl]-
CAS Number:
119191-00-3
Molecular Formula:
C18H15N5O
Molecular Weight:
317.3446
IUPAC Name:
2-[(4-phenyldiazenylanilino)diazenyl]phenol
InChI:
InChI=1S/C18H15N5O/c24-18-9-5-4-8-17(18)22-23-21-16-12-10-15(11-13-16)20-19-14-6-2-1-3-7-14/h1-13,24H,(H,21,22)
InChI Key:
LXMMNOVXNKCOSY-UHFFFAOYSA-N
SMILES:
Oc1ccccc1NN=Nc1ccc(cc1)N=Nc1ccccc1
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.128g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
317.352g/mol
Monoisotopic Mass:
317.128g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
81.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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