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Home > Quinoline > 860112-78-3
860112-78-3 | 2-(4-methylphenyl)quinoline-4-carbonyl chloride
CAS No: 860112-78-3 Catalog No: AG00JCHS MDL No:MFCD03421045
Product Description
Catalog Number:
AG00JCHS
Chemical Name:
2-(4-methylphenyl)quinoline-4-carbonyl chloride
CAS Number:
860112-78-3
Molecular Formula:
C17H12ClNO
Molecular Weight:
281.7363
MDL Number:
MFCD03421045
IUPAC Name:
2-(4-methylphenyl)quinoline-4-carbonyl chloride
InChI:
InChI=1S/C17H12ClNO/c1-11-6-8-12(9-7-11)16-10-14(17(18)20)13-4-2-3-5-15(13)19-16/h2-10H,1H3
InChI Key:
UFPHGLNPZXQTDF-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1nc2ccccc2c(c1)C(=O)Cl
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.061g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.739g/mol
Monoisotopic Mass:
281.061g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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