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5-chloroisoquinolin-1(2H)-one

5-chloroisoquinolin-1(2H)-one structure

CAS No:
24188-73-6
Formula:
C9H6ClNO
Chemical Name:
5-chloroisoquinolin-1(2H)-one
Synonyms:
5-chloroisoquinolin-1(2H)-one;5-chloro-2H-isoquinolin-1-one;1(2H)-Isoquinolinone, 5-chloro-;5-chloroisoquinolin-1-ol;5-choroisoquinolin-1(2H)-one;SCHEMBL1536536;SCHEMBL12055251;DTXSID70619522;5-chloranyl-2H-isoquinolin-1-one;ZINC33358953

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5-chloroisoquinolin-1(2H)-one Basic Attributes

Molecular Weight：

179.60304

Exact Mass：

179.01400

DSSTox ID：

DTXSID70619522

HScode：

2933790090

Characteristics

PSA：

29.1

XLogP3：

2.59380

Density：

1.34 g/cm3

Boiling Point：

427.061ºC at 760 mmHg

Flash Point：

212.079ºC

Computed Properties

Molecular Weight:179.60
XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Exact Mass:179.0137915
Monoisotopic Mass:179.0137915
Topological Polar Surface Area:29.1
Heavy Atom Count:12
Complexity:227
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-chloroisoquinolin-1(2H)-one

Basic Attributes
Characteristics
Computed Properties

5-chloroisoquinolin-1(2H)-one

SDS

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