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89013-42-3 | Benzene, 2-chloro-1-[4-(1,1-dimethylpropyl)phenoxy]-4-nitro-
CAS No: 89013-42-3 Catalog No: AG0042UJ MDL No:
Product Description
Catalog Number:
AG0042UJ
Chemical Name:
Benzene, 2-chloro-1-[4-(1,1-dimethylpropyl)phenoxy]-4-nitro-
CAS Number:
89013-42-3
Molecular Formula:
C17H18ClNO3
Molecular Weight:
319.7827
IUPAC Name:
2-chloro-1-[4-(2-methylbutan-2-yl)phenoxy]-4-nitrobenzene
InChI:
InChI=1S/C17H18ClNO3/c1-4-17(2,3)12-5-8-14(9-6-12)22-16-10-7-13(19(20)21)11-15(16)18/h5-11H,4H2,1-3H3
InChI Key:
ZPNDGXCPMKNQIX-UHFFFAOYSA-N
SMILES:
CCC(c1ccc(cc1)Oc1ccc(cc1Cl)[N+](=O)[O-])(C)C
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.098g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
319.785g/mol
Monoisotopic Mass:
319.098g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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