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261763-17-1 | Benzoyl chloride, 3-chloro-4-(trifluoromethoxy)-
CAS No: 261763-17-1 Catalog No: AG002S1I MDL No:MFCD01631558
Product Description
Catalog Number:
AG002S1I
Chemical Name:
Benzoyl chloride, 3-chloro-4-(trifluoromethoxy)-
CAS Number:
261763-17-1
Molecular Formula:
C8H3Cl2F3O2
Molecular Weight:
259.0094
MDL Number:
MFCD01631558
IUPAC Name:
3-chloro-4-(trifluoromethoxy)benzoyl chloride
InChI:
InChI=1S/C8H3Cl2F3O2/c9-5-3-4(7(10)14)1-2-6(5)15-8(11,12)13/h1-3H
InChI Key:
BAFYBTOKEKLGKH-UHFFFAOYSA-N
SMILES:
Clc1cc(ccc1OC(F)(F)F)C(=O)Cl
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.946g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.005g/mol
Monoisotopic Mass:
257.946g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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