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120015-26-1 | Benzene, 1,3-dichloro-2-[(4-nitrophenoxy)methyl]-
CAS No: 120015-26-1 Catalog No: AG000Q3C MDL No:MFCD00177423
Product Description
Catalog Number:
AG000Q3C
Chemical Name:
Benzene, 1,3-dichloro-2-[(4-nitrophenoxy)methyl]-
CAS Number:
120015-26-1
Molecular Formula:
C13H9Cl2NO3
Molecular Weight:
298.1215
MDL Number:
MFCD00177423
IUPAC Name:
1,3-dichloro-2-[(4-nitrophenoxy)methyl]benzene
InChI:
InChI=1S/C13H9Cl2NO3/c14-12-2-1-3-13(15)11(12)8-19-10-6-4-9(5-7-10)16(17)18/h1-7H,8H2
InChI Key:
SSMPPXOJYSUOKL-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1COc1ccc(cc1)[N+](=O)[O-])Cl
Properties
Complexity:
293
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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