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64414-28-4 | 2H-Cyclopenta[d]pyridazine, 2-methyl-7-(phenylazo)-
CAS No: 64414-28-4 Catalog No: AG00H7LR MDL No:
Product Description
Catalog Number:
AG00H7LR
Chemical Name:
2H-Cyclopenta[d]pyridazine, 2-methyl-7-(phenylazo)-
CAS Number:
64414-28-4
Molecular Formula:
C14H12N4
Molecular Weight:
236.2719
IUPAC Name:
(3-methylcyclopenta[d]pyridazin-5-yl)-phenyldiazene
InChI:
InChI=1S/C14H12N4/c1-18-10-13-11(9-15-18)7-8-14(13)17-16-12-5-3-2-4-6-12/h2-10H,1H3
InChI Key:
QMIGBBCIMXOVAQ-UHFFFAOYSA-N
SMILES:
Cn1ncc2c(c1)c(N=Nc1ccccc1)cc2
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.106g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.278g/mol
Monoisotopic Mass:
236.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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