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Home > Aldehydes > 114686-81-6
114686-81-6 | Benzeneacetaldehyde, 2,3-dichloro-
CAS No: 114686-81-6 Catalog No: AG000F1P MDL No:MFCD08703372
Product Description
Catalog Number:
AG000F1P
Chemical Name:
Benzeneacetaldehyde, 2,3-dichloro-
CAS Number:
114686-81-6
Molecular Formula:
C8H6Cl2O
Molecular Weight:
189.0386
MDL Number:
MFCD08703372
IUPAC Name:
2-(2,3-dichlorophenyl)acetaldehyde
InChI:
InChI=1S/C8H6Cl2O/c9-7-3-1-2-6(4-5-11)8(7)10/h1-3,5H,4H2
InChI Key:
BTRPFUUMJDFUAF-UHFFFAOYSA-N
SMILES:
Clc1c(CC=O)cccc1Cl
Properties
Complexity:
138
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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