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61931-86-0 | methyl 2-phenylthio-6-quinolyl ether
CAS No: 61931-86-0 Catalog No: AG00F520 MDL No:
Product Description
Catalog Number:
AG00F520
Chemical Name:
methyl 2-phenylthio-6-quinolyl ether
CAS Number:
61931-86-0
IUPAC Name:
6-methoxy-2-phenylsulfanylquinoline
InChI:
InChI=1S/C16H13NOS/c1-18-13-8-9-15-12(11-13)7-10-16(17-15)19-14-5-3-2-4-6-14/h2-11H,1H3
InChI Key:
APNJFVPUIDYMQH-UHFFFAOYSA-N
EC Number:
263-342-1
NSC Number:
56812
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.072g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.346g/mol
Monoisotopic Mass:
267.072g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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