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Home > Aldehydes > 1351668-29-5
1351668-29-5 | 4-chloro-2-fluoro-3-methylbenzaldehyde
CAS No: 1351668-29-5 Catalog No: AG01E64G MDL No:
Product Description
Catalog Number:
AG01E64G
Chemical Name:
4-chloro-2-fluoro-3-methylbenzaldehyde
CAS Number:
1351668-29-5
Molecular Formula:
C8H6ClFO
Molecular Weight:
172.5840
IUPAC Name:
4-chloro-2-fluoro-3-methylbenzaldehyde
InChI:
InChI=1S/C8H6ClFO/c1-5-7(9)3-2-6(4-11)8(5)10/h2-4H,1H3
InChI Key:
AZQBTWYYTIAJEG-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1F)C)Cl
Properties
Complexity:
151
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:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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