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141123-12-8 | 1(2H)-Phthalazinone, 4-(4-chloro-3-methylphenyl)-
CAS No: 141123-12-8 Catalog No: AG001FYM MDL No:
Product Description
Catalog Number:
AG001FYM
Chemical Name:
1(2H)-Phthalazinone, 4-(4-chloro-3-methylphenyl)-
CAS Number:
141123-12-8
Molecular Formula:
C15H11ClN2O
Molecular Weight:
270.7136
IUPAC Name:
4-(4-chloro-3-methylphenyl)-2H-phthalazin-1-one
InChI:
InChI=1S/C15H11ClN2O/c1-9-8-10(6-7-13(9)16)14-11-4-2-3-5-12(11)15(19)18-17-14/h2-8H,1H3,(H,18,19)
InChI Key:
OGZKAXCPOIFUFL-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1C)c1n[nH]c(=O)c2c1cccc2
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.056g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
270.716g/mol
Monoisotopic Mass:
270.056g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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