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Home > Aldehydes > 1186603-47-3
1186603-47-3 | 5-chloro-2-(phenylethynyl)benzaldehyde
CAS No: 1186603-47-3 Catalog No: AG0094X2 MDL No:MFCD28359712
Product Description
Catalog Number:
AG0094X2
Chemical Name:
5-chloro-2-(phenylethynyl)benzaldehyde
CAS Number:
1186603-47-3
Molecular Formula:
C15H9ClO
Molecular Weight:
240.6844
MDL Number:
MFCD28359712
IUPAC Name:
5-chloro-2-(2-phenylethynyl)benzaldehyde
InChI:
InChI=1S/C15H9ClO/c16-15-9-8-13(14(10-15)11-17)7-6-12-4-2-1-3-5-12/h1-5,8-11H
InChI Key:
HXSGNDDPFCKTOS-UHFFFAOYSA-N
SMILES:
O=Cc1cc(Cl)ccc1C#Cc1ccccc1
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.034g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.686g/mol
Monoisotopic Mass:
240.034g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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