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89226-83-5 | 4-Fluorophthalaldehyde
CAS No: 89226-83-5 Catalog No: AG0042ZK MDL No:
Product Description
Catalog Number:
AG0042ZK
Chemical Name:
4-Fluorophthalaldehyde
CAS Number:
89226-83-5
Molecular Formula:
C8H5FO2
Molecular Weight:
152.1225
IUPAC Name:
4-fluorophthalaldehyde
InChI:
InChI=1S/C8H5FO2/c9-8-2-1-6(4-10)7(3-8)5-11/h1-5H
InChI Key:
BYBIQFQCOHPKCM-UHFFFAOYSA-N
SMILES:
O=Cc1cc(F)ccc1C=O
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.027g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
152.124g/mol
Monoisotopic Mass:
152.027g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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