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100537-30-2 | Phthalazine, 1-phenoxy-
CAS No: 100537-30-2 Catalog No: AG0002AI MDL No:
Product Description
Catalog Number:
AG0002AI
Chemical Name:
Phthalazine, 1-phenoxy-
CAS Number:
100537-30-2
Molecular Formula:
C14H10N2O
Molecular Weight:
222.2420
IUPAC Name:
1-phenoxyphthalazine
InChI:
InChI=1S/C14H10N2O/c1-2-7-12(8-3-1)17-14-13-9-5-4-6-11(13)10-15-16-14/h1-10H
InChI Key:
CSHSXUZQMJVDJY-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)Oc1nncc2c1cccc2
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.079g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.247g/mol
Monoisotopic Mass:
222.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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