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1799-97-9 | Ether, 4-chloro-m-tolyl α,α,α-trifluoro-2-nitro-p-tolyl (7CI,8CI)
CAS No: 1799-97-9 Catalog No: AG0027DJ MDL No:
Product Description
Catalog Number:
AG0027DJ
Chemical Name:
Ether, 4-chloro-m-tolyl α,α,α-trifluoro-2-nitro-p-tolyl (7CI,8CI)
CAS Number:
1799-97-9
Molecular Formula:
C14H9ClF3NO3
Molecular Weight:
331.6744
IUPAC Name:
1-(4-chloro-3-methylphenoxy)-2-nitro-4-(trifluoromethyl)benzene
InChI:
InChI=1S/C14H9ClF3NO3/c1-8-6-10(3-4-11(8)15)22-13-5-2-9(14(16,17)18)7-12(13)19(20)21/h2-7H,1H3
InChI Key:
SXUKZUVAUOUEAF-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)Oc1ccc(c(c1)[N+](=O)[O-])C(F)(F)F)Cl
NSC Number:
58419
Properties
Complexity:
402
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.022g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
331.675g/mol
Monoisotopic Mass:
331.022g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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