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1394138-49-8 | 1,1'-Biphenyl, 3'-(chloromethyl)-2,6-dimethyl-4-[3-(methylsulfonyl)propoxy]-
CAS No: 1394138-49-8 Catalog No: AG001AYU MDL No:MFCD27959537
Product Description
Catalog Number:
AG001AYU
Chemical Name:
1,1'-Biphenyl, 3'-(chloromethyl)-2,6-dimethyl-4-[3-(methylsulfonyl)propoxy]-
CAS Number:
1394138-49-8
Molecular Formula:
C19H23ClO3S
Molecular Weight:
366.9021
MDL Number:
MFCD27959537
IUPAC Name:
2-[3-(chloromethyl)phenyl]-1,3-dimethyl-5-(3-methylsulfonylpropoxy)benzene
InChI:
InChI=1S/C19H23ClO3S/c1-14-10-18(23-8-5-9-24(3,21)22)11-15(2)19(14)17-7-4-6-16(12-17)13-20/h4,6-7,10-12H,5,8-9,13H2,1-3H3
InChI Key:
BTQUEFMXWXKWOG-UHFFFAOYSA-N
SMILES:
ClCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C
Properties
Complexity:
462
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
366.106g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
366.9g/mol
Monoisotopic Mass:
366.106g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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