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100537-30-2,MFCD00922119
Catalog No.:AA00027Q
100537-30-2 | 1-Phenoxyphthalazine
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100mg
1 week  
$1,581.00   $1,107.00
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500mg
1 week  
$3,215.00   $2,250.00
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Technical Information
Catalog Number:
AA00027Q
Chemical Name:
1-Phenoxyphthalazine
CAS Number:
100537-30-2
Molecular Formula:
C14H10N2O
Molecular Weight:
222.2420
MDL Number:
MFCD00922119
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
Computed 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  

Synonyms
 
1-Phenoxyphthalazine 
Phthalazine, 1-phenoxy- 
ZINC5795 
CTK0H6325 
DTXSID30143373 
CSHSXUZQMJVDJY-UHFFFAOYSA-N 
AKOS025394053 
LS-109178 
RT-006411 
FT-0673715 
D0QR4H 
C14-H10-N2-O 
100537-30-2 
CID613554 
BRN 0169614 
D-21151 
ACMC-20dtxu 
1-Phenoxy-phthalazine 
AC1LD7PM 
4-23-00-02603 (Beilstein Handbook Reference) 
SCHEMBL8809522 
Literature
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