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1352225-31-0 | 2-Chloro-2,2-difluoro-1-(3-methoxyphenyl)ethanone
CAS No: 1352225-31-0 Catalog No: AG01F996 MDL No:
Product Description
Catalog Number:
AG01F996
Chemical Name:
2-Chloro-2,2-difluoro-1-(3-methoxyphenyl)ethanone
CAS Number:
1352225-31-0
Molecular Formula:
C9H7ClF2O2
Molecular Weight:
220.6005
IUPAC Name:
2-chloro-2,2-difluoro-1-(3-methoxyphenyl)ethanone
InChI:
InChI=1S/C9H7ClF2O2/c1-14-7-4-2-3-6(5-7)8(13)9(10,11)12/h2-5H,1H3
InChI Key:
HACUUXXFCNPESU-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)C(=O)C(Cl)(F)F
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.01g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.6g/mol
Monoisotopic Mass:
220.01g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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