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85273-92-3 | Quinoline, 2-chloro-3-(1-methylethyl)-
CAS No: 85273-92-3 Catalog No: AG004PNP MDL No:
Product Description
Catalog Number:
AG004PNP
Chemical Name:
Quinoline, 2-chloro-3-(1-methylethyl)-
CAS Number:
85273-92-3
Molecular Formula:
C12H12ClN
Molecular Weight:
205.6834
IUPAC Name:
2-chloro-3-propan-2-ylquinoline
InChI:
InChI=1S/C12H12ClN/c1-8(2)10-7-9-5-3-4-6-11(9)14-12(10)13/h3-8H,1-2H3
InChI Key:
CBICQVIAVZYAIA-UHFFFAOYSA-N
SMILES:
CC(c1cc2ccccc2nc1Cl)C
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.066g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.685g/mol
Monoisotopic Mass:
205.066g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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