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129075-59-8 | 1(2H)-Isoquinolinone, 5-chloro-3,4-dihydro-
CAS No: 129075-59-8 Catalog No: AG000YT6 MDL No:MFCD04114875
Product Description
Catalog Number:
AG000YT6
Chemical Name:
1(2H)-Isoquinolinone, 5-chloro-3,4-dihydro-
CAS Number:
129075-59-8
Molecular Formula:
C9H8ClNO
Molecular Weight:
181.6189
MDL Number:
MFCD04114875
IUPAC Name:
5-chloro-3,4-dihydro-2H-isoquinolin-1-one
InChI:
InChI=1S/C9H8ClNO/c10-8-3-1-2-7-6(8)4-5-11-9(7)12/h1-3H,4-5H2,(H,11,12)
InChI Key:
ZFVBSNKDRBLAQP-UHFFFAOYSA-N
SMILES:
O=C1NCCc2c1cccc2Cl
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.029g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
181.619g/mol
Monoisotopic Mass:
181.029g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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