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4752-10-7 | 1,4-Dichlorophthalazine
CAS No: 4752-10-7 Catalog No: AG0032MW MDL No:MFCD00006909
Product Description
Catalog Number:
AG0032MW
Chemical Name:
1,4-Dichlorophthalazine
CAS Number:
4752-10-7
Molecular Formula:
C8H4Cl2N2
Molecular Weight:
199.0368
MDL Number:
MFCD00006909
IUPAC Name:
1,4-dichlorophthalazine
InChI:
InChI=1S/C8H4Cl2N2/c9-7-5-3-1-2-4-6(5)8(10)12-11-7/h1-4H
InChI Key:
ODCNAEMHGMYADO-UHFFFAOYSA-N
SMILES:
Clc1nnc(c2c1cccc2)Cl
EC Number:
225-275-6
UNII:
0OW60266KO
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.975g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.034g/mol
Monoisotopic Mass:
197.975g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
Literature
| Title | Journal |
|---|---|
| Aluminum chloride-induced heteroarylation of arenes and heteroarenes. 2. A new synthesis of 4-substituted phthalazin-1(2H)-ones. | The Journal of organic chemistry 20030822 |
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