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87877-48-3 | Phenol, 4-methyl-2-[(5-methyl-3-isoxazolyl)azo]-
CAS No: 87877-48-3 Catalog No: AG004FXS MDL No:
Product Description
Catalog Number:
AG004FXS
Chemical Name:
Phenol, 4-methyl-2-[(5-methyl-3-isoxazolyl)azo]-
CAS Number:
87877-48-3
Molecular Formula:
C11H11N3O2
Molecular Weight:
217.2239
IUPAC Name:
4-methyl-2-[(5-methyl-1,2-oxazol-3-yl)diazenyl]phenol
InChI:
InChI=1S/C11H11N3O2/c1-7-3-4-10(15)9(5-7)12-13-11-6-8(2)16-14-11/h3-6,15H,1-2H3
InChI Key:
YQPHUXLSYAIGGT-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)N=Nc1noc(c1)C)O
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.085g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.228g/mol
Monoisotopic Mass:
217.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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