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Home > Aldehydes > 878551-11-2
878551-11-2 | Benzaldehyde, 4-hydroxy-3-(1H-1,2,4-triazol-3-ylazo)-
CAS No: 878551-11-2 Catalog No: AG004EG6 MDL No:
Product Description
Catalog Number:
AG004EG6
Chemical Name:
Benzaldehyde, 4-hydroxy-3-(1H-1,2,4-triazol-3-ylazo)-
CAS Number:
878551-11-2
Molecular Formula:
C9H7N5O2
Molecular Weight:
217.1842
IUPAC Name:
4-hydroxy-3-(1H-1,2,4-triazol-5-yldiazenyl)benzaldehyde
InChI:
InChI=1S/C9H7N5O2/c15-4-6-1-2-8(16)7(3-6)12-14-9-10-5-11-13-9/h1-5,16H,(H,10,11,13)
InChI Key:
XNYJLEHNWUSMGW-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1)N=Nc1n[nH]cn1)O
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.06g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
217.188g/mol
Monoisotopic Mass:
217.06g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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