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Home > Quinoline > 1160253-93-9
1160253-93-9 | 2-(3-Isopropoxyphenyl)-6-methylquinoline-4-carbonyl chloride
CAS No: 1160253-93-9 Catalog No: AG00HDD4 MDL No:MFCD03421171
Product Description
Catalog Number:
AG00HDD4
Chemical Name:
2-(3-Isopropoxyphenyl)-6-methylquinoline-4-carbonyl chloride
CAS Number:
1160253-93-9
Molecular Formula:
C20H18ClNO2
Molecular Weight:
339.8154
MDL Number:
MFCD03421171
IUPAC Name:
6-methyl-2-(3-propan-2-yloxyphenyl)quinoline-4-carbonyl chloride
InChI:
InChI=1S/C20H18ClNO2/c1-12(2)24-15-6-4-5-14(10-15)19-11-17(20(21)23)16-9-13(3)7-8-18(16)22-19/h4-12H,1-3H3
InChI Key:
MLWHKJPGPBIIOL-UHFFFAOYSA-N
SMILES:
CC(Oc1cccc(c1)c1nc2ccc(cc2c(c1)C(=O)Cl)C)C
Properties
Complexity:
441
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.103g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
339.819g/mol
Monoisotopic Mass:
339.103g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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