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129842-38-2 | Phthalazine, 1-chloro-4-(3,4-dimethylphenyl)-
CAS No: 129842-38-2 Catalog No: AG000TQB MDL No:MFCD03001385
Product Description
Catalog Number:
AG000TQB
Chemical Name:
Phthalazine, 1-chloro-4-(3,4-dimethylphenyl)-
CAS Number:
129842-38-2
Molecular Formula:
C16H13ClN2
Molecular Weight:
268.7408
MDL Number:
MFCD03001385
IUPAC Name:
1-chloro-4-(3,4-dimethylphenyl)phthalazine
InChI:
InChI=1S/C16H13ClN2/c1-10-7-8-12(9-11(10)2)15-13-5-3-4-6-14(13)16(17)19-18-15/h3-9H,1-2H3
InChI Key:
GYYXXMBDNZTEND-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1C)c1nnc(c2c1cccc2)Cl
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.077g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.744g/mol
Monoisotopic Mass:
268.077g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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