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114109-50-1 | Benzene, 1,5-dichloro-2-nitro-4-(phenylmethoxy)-
CAS No: 114109-50-1 Catalog No: AG000ALS MDL No:MFCD08056626
Product Description
Catalog Number:
AG000ALS
Chemical Name:
Benzene, 1,5-dichloro-2-nitro-4-(phenylmethoxy)-
CAS Number:
114109-50-1
Molecular Formula:
C13H9Cl2NO3
Molecular Weight:
298.1215
MDL Number:
MFCD08056626
IUPAC Name:
1,5-dichloro-2-nitro-4-phenylmethoxybenzene
InChI:
InChI=1S/C13H9Cl2NO3/c14-10-6-11(15)13(7-12(10)16(17)18)19-8-9-4-2-1-3-5-9/h1-7H,8H2
InChI Key:
IEKKEZUAADAJGO-UHFFFAOYSA-N
SMILES:
Clc1cc(Cl)c(cc1OCc1ccccc1)[N+](=O)[O-]
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.996g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.119g/mol
Monoisotopic Mass:
296.996g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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