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87327-69-3 | 2'-Chloro-6'-fluoroacetophenone
CAS No: 87327-69-3 Catalog No: AG0032IC MDL No:MFCD01631390
Product Description
Catalog Number:
AG0032IC
Chemical Name:
2'-Chloro-6'-fluoroacetophenone
CAS Number:
87327-69-3
Molecular Formula:
C8H6ClFO
Molecular Weight:
172.5840
MDL Number:
MFCD01631390
IUPAC Name:
1-(2-chloro-6-fluorophenyl)ethanone
InChI:
InChI=1S/C8H6ClFO/c1-5(11)8-6(9)3-2-4-7(8)10/h2-4H,1H3
InChI Key:
DNVGZKIRMBCQEQ-UHFFFAOYSA-N
SMILES:
CC(=O)c1c(F)cccc1Cl
Properties
Complexity:
160
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:
2.3
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