5-chloro-2,3-dihydroinden-1-one


Chemical Name: 5-chloro-2,3-dihydroinden-1-one
CAS Number: 42348-86-7
Product Number: AG00348P(AGN-PC-0JMSQ7)
Synonyms:
MDL No: MFCD00041456
Molecular Formula: C9H7ClO
Molecular Weight: 166.6043

Identification/Properties


Properties
MP:
94 - 95 °C
BP:
150 °C at 0.2 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.6000 (estimate)
Computed Properties
Molecular Weight:
166.604g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
0
Exact Mass:
166.019g/mol
Monoisotopic Mass:
166.019g/mol
Topological Polar Surface Area:
17.1A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
178
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302+H312+H332-H315-H319-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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