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588-09-0 | 1-Chloro-2-nitro-4-(trifluoromethoxy);benzene
CAS No: 588-09-0 Catalog No: AG003GY3 MDL No:MFCD13194447
Product Description
Catalog Number:
AG003GY3
Chemical Name:
1-Chloro-2-nitro-4-(trifluoromethoxy);benzene
CAS Number:
588-09-0
Molecular Formula:
C7H3ClF3NO3
Molecular Weight:
241.5518
MDL Number:
MFCD13194447
IUPAC Name:
1-chloro-2-nitro-4-(trifluoromethoxy)benzene
InChI:
InChI=1S/C7H3ClF3NO3/c8-5-2-1-4(15-7(9,10)11)3-6(5)12(13)14/h1-3H
InChI Key:
WMEHRJJXMQRTOU-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1Cl)OC(F)(F)F
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.975g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.55g/mol
Monoisotopic Mass:
240.975g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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