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113405-10-0 | Acetyl chloride, 2-[4-nitro-3-(trifluoromethyl)phenoxy]-
CAS No: 113405-10-0 Catalog No: AG0008HJ MDL No:
Product Description
Catalog Number:
AG0008HJ
Chemical Name:
Acetyl chloride, 2-[4-nitro-3-(trifluoromethyl)phenoxy]-
CAS Number:
113405-10-0
Molecular Formula:
C9H5ClF3NO4
Molecular Weight:
283.5885
IUPAC Name:
2-[4-nitro-3-(trifluoromethyl)phenoxy]acetyl chloride
InChI:
InChI=1S/C9H5ClF3NO4/c10-8(15)4-18-5-1-2-7(14(16)17)6(3-5)9(11,12)13/h1-3H,4H2
InChI Key:
QOPPTKXNHNSDEC-UHFFFAOYSA-N
SMILES:
ClC(=O)COc1ccc(c(c1)C(F)(F)F)[N+](=O)[O-]
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.986g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.587g/mol
Monoisotopic Mass:
282.986g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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