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13180-41-1 | Perchloroisoquinoline
CAS No: 13180-41-1 Catalog No: AG01FFKL MDL No:
Product Description
Catalog Number:
AG01FFKL
Chemical Name:
Perchloroisoquinoline
CAS Number:
13180-41-1
Molecular Formula:
C9Cl7N
Molecular Weight:
370.2740
IUPAC Name:
1,3,4,5,6,7,8-heptachloroisoquinoline
InChI:
InChI=1S/C9Cl7N/c10-3-1-2(4(11)7(14)6(3)13)8(15)17-9(16)5(1)12
InChI Key:
BYFJWFNAVPMYST-UHFFFAOYSA-N
SMILES:
Clc1nc(Cl)c2c(c1Cl)c(Cl)c(c(c2Cl)Cl)Cl
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
368.782g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
370.256g/mol
Monoisotopic Mass:
366.785g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.2
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