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259252-07-8 | 2-Propenal, 3-chloro-3-(2'-fluoro[1,1'-biphenyl]-4-yl)-2-methyl-
CAS No: 259252-07-8 Catalog No: AG002R39 MDL No:
Product Description
Catalog Number:
AG002R39
Chemical Name:
2-Propenal, 3-chloro-3-(2'-fluoro[1,1'-biphenyl]-4-yl)-2-methyl-
CAS Number:
259252-07-8
Molecular Formula:
C16H12ClFO
Molecular Weight:
274.7173
IUPAC Name:
3-chloro-3-[4-(2-fluorophenyl)phenyl]-2-methylprop-2-enal
InChI:
InChI=1S/C16H12ClFO/c1-11(10-19)16(17)13-8-6-12(7-9-13)14-4-2-3-5-15(14)18/h2-10H,1H3
InChI Key:
NGBBLTHFYAJMTC-UHFFFAOYSA-N
SMILES:
O=CC(=C(c1ccc(cc1)c1ccccc1F)Cl)C
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.056g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.719g/mol
Monoisotopic Mass:
274.056g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.3
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