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100700-40-1 | 1-Butanone, 4-chloro-3-(chlorodifluoromethyl)-4,4-difluoro-3-hydroxy-1-phenyl-, oxime
CAS No: 100700-40-1 Catalog No: AG0002O5 MDL No:
Product Description
Catalog Number:
AG0002O5
Chemical Name:
1-Butanone, 4-chloro-3-(chlorodifluoromethyl)-4,4-difluoro-3-hydroxy-1-phenyl-, oxime
CAS Number:
100700-40-1
Molecular Formula:
C11H9Cl2F4NO2
Molecular Weight:
334.0943
IUPAC Name:
1,2-dichloro-3-(difluoromethyl)-1,1-difluoro-4-hydroxyimino-4-phenylbutan-2-ol
InChI:
InChI=1S/C11H9Cl2F4NO2/c12-10(19,11(13,16)17)7(9(14)15)8(18-20)6-4-2-1-3-5-6/h1-5,7,9,19-20H
InChI Key:
GPTUUYLUZFQTOS-UHFFFAOYSA-N
SMILES:
ON=C(c1ccccc1)CC(C(Cl)(F)F)(C(Cl)(F)F)O
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.995g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
334.092g/mol
Monoisotopic Mass:
332.995g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
52.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
1
XLogP3:
3.9
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