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131544-74-6 | Benzene, 1-[(1R,3S)-2,2-dichloro-1,3-diphenylcyclopropyl]-4-methoxy-, rel-
CAS No: 131544-74-6 Catalog No: AG000ZDQ MDL No:
Product Description
Catalog Number:
AG000ZDQ
Chemical Name:
Benzene, 1-[(1R,3S)-2,2-dichloro-1,3-diphenylcyclopropyl]-4-methoxy-, rel-
CAS Number:
131544-74-6
Molecular Formula:
C22H18Cl2O
Molecular Weight:
369.2837
IUPAC Name:
1-(2,2-dichloro-1,3-diphenylcyclopropyl)-4-methoxybenzene
InChI:
InChI=1S/C22H18Cl2O/c1-25-19-14-12-18(13-15-19)21(17-10-6-3-7-11-17)20(22(21,23)24)16-8-4-2-5-9-16/h2-15,20H,1H3
InChI Key:
ZYRUTUIIYQZZOH-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)[C@]1(c2ccccc2)[C@@H](C1(Cl)Cl)c1ccccc1
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
368.073g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
369.285g/mol
Monoisotopic Mass:
368.073g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
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