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131544-83-7 | Benzene, 1,1'-[3,3-dichloro-1-[4-(phenylmethoxy)phenyl]-1,2-cyclopropanediyl]bis[4-methoxy-, trans- (9CI)
CAS No: 131544-83-7 Catalog No: AG000ZDP MDL No:
Product Description
Catalog Number:
AG000ZDP
Chemical Name:
Benzene, 1,1'-[3,3-dichloro-1-[4-(phenylmethoxy)phenyl]-1,2-cyclopropanediyl]bis[4-methoxy-, trans- (9CI)
CAS Number:
131544-83-7
Molecular Formula:
C30H26Cl2O3
Molecular Weight:
505.4316
IUPAC Name:
1-[2,2-dichloro-1,3-bis(4-methoxyphenyl)cyclopropyl]-4-phenylmethoxybenzene
InChI:
InChI=1S/C30H26Cl2O3/c1-33-25-14-8-22(9-15-25)28-29(30(28,31)32,23-10-16-26(34-2)17-11-23)24-12-18-27(19-13-24)35-20-21-6-4-3-5-7-21/h3-19,28H,20H2,1-2H3
InChI Key:
NOZGTIPFLLKLDR-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C1(c2ccc(cc2)OCc2ccccc2)C(C1(Cl)Cl)c1ccc(cc1)OC
Properties
Complexity:
657
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
504.126g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
505.435g/mol
Monoisotopic Mass:
504.126g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
7.7
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