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100702-10-1 | Benzene, 1,1'-[(1Z)-1-chloro-2-phenyl-1,2-ethenediyl]bis[2,4,6-trimethyl- (9CI)
CAS No: 100702-10-1 Catalog No: AG0002NZ MDL No:
Product Description
Catalog Number:
AG0002NZ
Chemical Name:
Benzene, 1,1'-[(1Z)-1-chloro-2-phenyl-1,2-ethenediyl]bis[2,4,6-trimethyl- (9CI)
CAS Number:
100702-10-1
Molecular Formula:
C26H27Cl
Molecular Weight:
374.9456
IUPAC Name:
2-[1-chloro-2-phenyl-2-(2,4,6-trimethylphenyl)ethenyl]-1,3,5-trimethylbenzene
InChI:
InChI=1S/C26H27Cl/c1-16-12-18(3)23(19(4)13-16)25(22-10-8-7-9-11-22)26(27)24-20(5)14-17(2)15-21(24)6/h7-15H,1-6H3
InChI Key:
KRJFOMSCKGGOAM-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c(c(c1)C)/C(=C(/c1c(C)cc(cc1C)C)\Cl)/c1ccccc1
Properties
Complexity:
490
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
374.18g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
374.952g/mol
Monoisotopic Mass:
374.18g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
8.7
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