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886503-42-0 | 3'-CHLORO-5'-(TRIFLUOROMETHOXY)ACETOPHENONE
CAS No: 886503-42-0 Catalog No: AG00GY6M MDL No:MFCD06660315
Product Description
Catalog Number:
AG00GY6M
Chemical Name:
3'-CHLORO-5'-(TRIFLUOROMETHOXY)ACETOPHENONE
CAS Number:
886503-42-0
Molecular Formula:
C9H6ClF3O2
Molecular Weight:
238.5909
MDL Number:
MFCD06660315
IUPAC Name:
1-[3-chloro-5-(trifluoromethoxy)phenyl]ethanone
InChI:
InChI=1S/C9H6ClF3O2/c1-5(14)6-2-7(10)4-8(3-6)15-9(11,12)13/h2-4H,1H3
InChI Key:
JIZQMRMVMMKCGE-UHFFFAOYSA-N
SMILES:
Clc1cc(cc(c1)C(=O)C)OC(F)(F)F
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.001g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.59g/mol
Monoisotopic Mass:
238.001g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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