Home Halogens 1-chloro-3-(chloromethyl)isoquinoline

1-chloro-3-(chloromethyl)isoquinoline

CAS No.:
1803582-29-7
Catalog Number:
AG01AV3O
Molecular Formula:
C10H7Cl2N
Molecular Weight:
212.0753
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Product Description
Catalog Number:
AG01AV3O
Chemical Name:
1-chloro-3-(chloromethyl)isoquinoline
CAS Number:
1803582-29-7
Molecular Formula:
C10H7Cl2N
Molecular Weight:
212.0753
MDL Number:
MFCD27959453
IUPAC Name:
1-chloro-3-(chloromethyl)isoquinoline
InChI:
InChI=1S/C10H7Cl2N/c11-6-8-5-7-3-1-2-4-9(7)10(12)13-8/h1-5H,6H2
InChI Key:
OCQPIHOCLGAIFB-UHFFFAOYSA-N
SMILES:
ClCc1cc2ccccc2c(n1)Cl
Properties
Complexity:
174  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.996g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.073g/mol
Monoisotopic Mass:
210.996g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Properties