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77636-92-1 | 2-((2-METHOXY-5-CHLOROPHENYL)AZO)-1H-IMIDAZOLE
CAS No: 77636-92-1 Catalog No: AG005GLQ MDL No:
Product Description
Catalog Number:
AG005GLQ
Chemical Name:
2-((2-METHOXY-5-CHLOROPHENYL)AZO)-1H-IMIDAZOLE
CAS Number:
77636-92-1
Molecular Formula:
C10H9ClN4O
Molecular Weight:
236.6577
IUPAC Name:
(5-chloro-2-methoxyphenyl)-(1H-imidazol-2-yl)diazene
InChI:
InChI=1S/C10H9ClN4O/c1-16-9-3-2-7(11)6-8(9)14-15-10-12-4-5-13-10/h2-6H,1H3,(H,12,13)
InChI Key:
IXQGZPLNCYHNKT-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1N=Nc1ncc[nH]1)Cl
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.046g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236.659g/mol
Monoisotopic Mass:
236.046g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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