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137776-95-5 | Quinoline, 2,7-dichloro-3-(chloromethyl)-
CAS No: 137776-95-5 Catalog No: AG0013U6 MDL No:
Product Description
Catalog Number:
AG0013U6
Chemical Name:
Quinoline, 2,7-dichloro-3-(chloromethyl)-
CAS Number:
137776-95-5
Molecular Formula:
C10H6Cl3N
Molecular Weight:
246.5203
IUPAC Name:
2,7-dichloro-3-(chloromethyl)quinoline
InChI:
InChI=1S/C10H6Cl3N/c11-5-7-3-6-1-2-8(12)4-9(6)14-10(7)13/h1-4H,5H2
InChI Key:
HKNGUBRIEPCZJW-UHFFFAOYSA-N
SMILES:
ClCc1cc2ccc(cc2nc1Cl)Cl
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.957g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.515g/mol
Monoisotopic Mass:
244.957g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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