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102196-78-1 | Phthalazine, 1-chloro-7-methoxy-
CAS No: 102196-78-1 Catalog No: AG0006VE MDL No:MFCD13190051
Product Description
Catalog Number:
AG0006VE
Chemical Name:
Phthalazine, 1-chloro-7-methoxy-
CAS Number:
102196-78-1
Molecular Formula:
C9H7ClN2O
Molecular Weight:
194.6177
MDL Number:
MFCD13190051
IUPAC Name:
1-chloro-7-methoxyphthalazine
InChI:
InChI=1S/C9H7ClN2O/c1-13-7-3-2-6-5-11-12-9(10)8(6)4-7/h2-5H,1H3
InChI Key:
SLDSSDJHOPSSSK-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)c(Cl)nnc2
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.025g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.618g/mol
Monoisotopic Mass:
194.025g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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