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188840-57-5 | Benzene, 1-[1-chloro-2-(4-methoxyphenyl)ethenyl]-4-methyl-
CAS No: 188840-57-5 Catalog No: AG002HF2 MDL No:
Product Description
Catalog Number:
AG002HF2
Chemical Name:
Benzene, 1-[1-chloro-2-(4-methoxyphenyl)ethenyl]-4-methyl-
CAS Number:
188840-57-5
Molecular Formula:
C16H15ClO
Molecular Weight:
258.7427
IUPAC Name:
1-[1-chloro-2-(4-methoxyphenyl)ethenyl]-4-methylbenzene
InChI:
InChI=1S/C16H15ClO/c1-12-3-7-14(8-4-12)16(17)11-13-5-9-15(18-2)10-6-13/h3-11H,1-2H3
InChI Key:
XVABWQXAPIGHOE-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C=C(c1ccc(cc1)C)Cl
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.081g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.745g/mol
Monoisotopic Mass:
258.081g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.9
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