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1032506-57-2 | 4'-Chloro-3,4,5-trimethoxy-biphenyl
CAS No: 1032506-57-2 Catalog No: AG01FDOX MDL No:
Product Description
Catalog Number:
AG01FDOX
Chemical Name:
4'-Chloro-3,4,5-trimethoxy-biphenyl
CAS Number:
1032506-57-2
Molecular Formula:
C15H15ClO3
Molecular Weight:
278.7308
IUPAC Name:
5-(4-chlorophenyl)-1,2,3-trimethoxybenzene
InChI:
InChI=1S/C15H15ClO3/c1-17-13-8-11(9-14(18-2)15(13)19-3)10-4-6-12(16)7-5-10/h4-9H,1-3H3
InChI Key:
JAKXGIAPPNWTAN-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1OC)OC)c1ccc(cc1)Cl
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.071g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.732g/mol
Monoisotopic Mass:
278.071g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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