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114093-01-5 | Benzene, 1,4-bis(2-chloro-1,1-dimethylethyl)-2-nitro-
CAS No: 114093-01-5 Catalog No: AG000AJK MDL No:
Product Description
Catalog Number:
AG000AJK
Chemical Name:
Benzene, 1,4-bis(2-chloro-1,1-dimethylethyl)-2-nitro-
CAS Number:
114093-01-5
Molecular Formula:
C14H19Cl2NO2
Molecular Weight:
304.2122
IUPAC Name:
1,4-bis(1-chloro-2-methylpropan-2-yl)-2-nitrobenzene
InChI:
InChI=1S/C14H19Cl2NO2/c1-13(2,8-15)10-5-6-11(14(3,4)9-16)12(7-10)17(18)19/h5-7H,8-9H2,1-4H3
InChI Key:
RZTNOEWKIYWXBM-UHFFFAOYSA-N
SMILES:
ClCC(c1ccc(c(c1)[N+](=O)[O-])C(CCl)(C)C)(C)C
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.079g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
304.211g/mol
Monoisotopic Mass:
303.079g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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