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885273-81-4 | 5,7-Dichloro-3,4-dihydroisoquinolin-1(2H)-one
CAS No: 885273-81-4 Catalog No: AG0046D2 MDL No:MFCD04114876
Product Description
Catalog Number:
AG0046D2
Chemical Name:
5,7-Dichloro-3,4-dihydroisoquinolin-1(2H)-one
CAS Number:
885273-81-4
Molecular Formula:
C9H7Cl2NO
Molecular Weight:
216.0640
MDL Number:
MFCD04114876
IUPAC Name:
5,7-dichloro-3,4-dihydro-2H-isoquinolin-1-one
InChI:
InChI=1S/C9H7Cl2NO/c10-5-3-7-6(8(11)4-5)1-2-12-9(7)13/h3-4H,1-2H2,(H,12,13)
InChI Key:
OIEJGYJUSCLONB-UHFFFAOYSA-N
SMILES:
Clc1cc(Cl)c2c(c1)C(=O)NCC2
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.99g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.061g/mol
Monoisotopic Mass:
214.99g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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