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20973-90-4 | Benzeneacetaldehyde, 2,6-dichloro-
CAS No: 20973-90-4 Catalog No: AG002KDH MDL No:
Product Description
Catalog Number:
AG002KDH
Chemical Name:
Benzeneacetaldehyde, 2,6-dichloro-
CAS Number:
20973-90-4
Molecular Formula:
C8H6Cl2O
Molecular Weight:
189.0386
IUPAC Name:
2-(2,6-dichlorophenyl)acetaldehyde
InChI:
InChI=1S/C8H6Cl2O/c9-7-2-1-3-8(10)6(7)4-5-11/h1-3,5H,4H2
InChI Key:
BBJCWAGQXDWRKB-UHFFFAOYSA-N
SMILES:
O=CCc1c(Cl)cccc1Cl
Properties
Complexity:
128
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.98g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.035g/mol
Monoisotopic Mass:
187.98g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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