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1160254-75-0 | 2-(1,3-Benzodioxol-5-yl)-8-methylquinoline-4-carbonyl chloride
CAS No: 1160254-75-0 Catalog No: AG00HDE9 MDL No:MFCD03421224
Product Description
Catalog Number:
AG00HDE9
Chemical Name:
2-(1,3-Benzodioxol-5-yl)-8-methylquinoline-4-carbonyl chloride
CAS Number:
1160254-75-0
Molecular Formula:
C18H12ClNO3
Molecular Weight:
325.7458
MDL Number:
MFCD03421224
IUPAC Name:
2-(1,3-benzodioxol-5-yl)-8-methylquinoline-4-carbonyl chloride
InChI:
InChI=1S/C18H12ClNO3/c1-10-3-2-4-12-13(18(19)21)8-14(20-17(10)12)11-5-6-15-16(7-11)23-9-22-15/h2-8H,9H2,1H3
InChI Key:
QFEBHWYELHWENL-UHFFFAOYSA-N
SMILES:
ClC(=O)c1cc(nc2c1cccc2C)c1ccc2c(c1)OCO2
Properties
Complexity:
460
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.051g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
325.748g/mol
Monoisotopic Mass:
325.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
48.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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