1,3-dichloro-7-methylisoquinoline


Chemical Name: 1,3-dichloro-7-methylisoquinoline
CAS Number: 21902-37-4
Product Number: AG00BECL(AGN-PC-04UZZ1)
Synonyms:
MDL No:
Molecular Formula: C10H7Cl2N
Molecular Weight: 212.0753

Identification/Properties


Properties
BP:
320.7 °C at 760 mmHg
Storage:
Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
212.073g/mol
XLogP3:
4.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
0
Exact Mass:
210.996g/mol
Monoisotopic Mass:
210.996g/mol
Topological Polar Surface Area:
12.9A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
186
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#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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