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101005-04-3 | 1-Phthalazinol, 1,2-dihydro-2-phenyl-
CAS No: 101005-04-3 Catalog No: AG0003I1 MDL No:
Product Description
Catalog Number:
AG0003I1
Chemical Name:
1-Phthalazinol, 1,2-dihydro-2-phenyl-
CAS Number:
101005-04-3
Molecular Formula:
C14H12N2O
Molecular Weight:
224.2579
IUPAC Name:
2-phenyl-1H-phthalazin-1-ol
InChI:
InChI=1S/C14H12N2O/c17-14-13-9-5-4-6-11(13)10-15-16(14)12-7-2-1-3-8-12/h1-10,14,17H
InChI Key:
DSSXJXDLKAEYIJ-UHFFFAOYSA-N
SMILES:
OC1N(N=Cc2c1cccc2)c1ccccc1
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.095g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
224.263g/mol
Monoisotopic Mass:
224.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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