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131002-09-0 | 1(2H)-Isoquinolinone, 6-chloro-
CAS No: 131002-09-0 Catalog No: AG000VBJ MDL No:MFCD07700290
Product Description
Catalog Number:
AG000VBJ
Chemical Name:
1(2H)-Isoquinolinone, 6-chloro-
CAS Number:
131002-09-0
Molecular Formula:
C9H6ClNO
Molecular Weight:
179.6030
MDL Number:
MFCD07700290
IUPAC Name:
6-chloro-2H-isoquinolin-1-one
InChI:
InChI=1S/C9H6ClNO/c10-7-1-2-8-6(5-7)3-4-11-9(8)12/h1-5H,(H,11,12)
InChI Key:
AVLGVJHAZWURPZ-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)cc[nH]c2=O
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.014g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.603g/mol
Monoisotopic Mass:
179.014g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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