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Home > Aldehydes > 205880-74-6
205880-74-6 | Benzeneacetaldehyde, 4-chloro-3-fluoro-
CAS No: 205880-74-6 Catalog No: AG002ADR MDL No:
Product Description
Catalog Number:
AG002ADR
Chemical Name:
Benzeneacetaldehyde, 4-chloro-3-fluoro-
CAS Number:
205880-74-6
Molecular Formula:
C8H6ClFO
Molecular Weight:
172.5840
IUPAC Name:
2-(4-chloro-3-fluorophenyl)acetaldehyde
InChI:
InChI=1S/C8H6ClFO/c9-7-2-1-6(3-4-11)5-8(7)10/h1-2,4-5H,3H2
InChI Key:
VMVLFQIBMRPIGM-UHFFFAOYSA-N
SMILES:
O=CCc1ccc(c(c1)F)Cl
Properties
Complexity:
140
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.009g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.583g/mol
Monoisotopic Mass:
172.009g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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