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1141080-83-2 | 2H-Indol-2-one, 5-(3-chloro-4-fluorophenyl)-1,3-dihydro-3-Methyl-3-(5-pyriMidinylMethyl)-
CAS No: 1141080-83-2 Catalog No: AG000ALA MDL No:MFCD22572947
Product Description
Catalog Number:
AG000ALA
Chemical Name:
2H-Indol-2-one, 5-(3-chloro-4-fluorophenyl)-1,3-dihydro-3-Methyl-3-(5-pyriMidinylMethyl)-
CAS Number:
1141080-83-2
Molecular Formula:
C20H15ClFN3O
Molecular Weight:
367.8040
MDL Number:
MFCD22572947
IUPAC Name:
5-(3-chloro-4-fluorophenyl)-3-methyl-3-(pyrimidin-5-ylmethyl)-1H-indol-2-one
InChI:
InChI=1S/C20H15ClFN3O/c1-20(8-12-9-23-11-24-10-12)15-6-13(3-5-18(15)25-19(20)26)14-2-4-17(22)16(21)7-14/h2-7,9-11H,8H2,1H3,(H,25,26)
InChI Key:
XGPNTNDZPIYDKF-UHFFFAOYSA-N
SMILES:
O=C1Nc2c(C1(C)Cc1cncnc1)cc(cc2)c1ccc(c(c1)Cl)F
Properties
Complexity:
529
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
367.089g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
367.808g/mol
Monoisotopic Mass:
367.089g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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