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Home > Quinoline > 1160264-91-4
1160264-91-4 | 2-(1,3-Benzodioxol-5-yl)quinoline-4-carbonyl chloride
CAS No: 1160264-91-4 Catalog No: AG00HDO1 MDL No:MFCD03421086
Product Description
Catalog Number:
AG00HDO1
Chemical Name:
2-(1,3-Benzodioxol-5-yl)quinoline-4-carbonyl chloride
CAS Number:
1160264-91-4
Molecular Formula:
C17H10ClNO3
Molecular Weight:
311.7192
MDL Number:
MFCD03421086
IUPAC Name:
2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl chloride
InChI:
InChI=1S/C17H10ClNO3/c18-17(20)12-8-14(19-13-4-2-1-3-11(12)13)10-5-6-15-16(7-10)22-9-21-15/h1-8H,9H2
InChI Key:
GCHYWUOYLFJJMT-UHFFFAOYSA-N
SMILES:
ClC(=O)c1cc(nc2c1cccc2)c1ccc2c(c1)OCO2
Properties
Complexity:
432
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.035g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
311.721g/mol
Monoisotopic Mass:
311.035g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
48.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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