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102236-22-6 | Benzene, 1-chloro-2-ethoxy-4-nitro-
CAS No: 102236-22-6 Catalog No: AG000708 MDL No:MFCD21333109
Product Description
Catalog Number:
AG000708
Chemical Name:
Benzene, 1-chloro-2-ethoxy-4-nitro-
CAS Number:
102236-22-6
Molecular Formula:
C8H8ClNO3
Molecular Weight:
201.6070
MDL Number:
MFCD21333109
IUPAC Name:
1-chloro-2-ethoxy-4-nitrobenzene
InChI:
InChI=1S/C8H8ClNO3/c1-2-13-8-5-6(10(11)12)3-4-7(8)9/h3-5H,2H2,1H3
InChI Key:
QYTNTDMOSPPSMY-UHFFFAOYSA-N
SMILES:
CCOc1cc(ccc1Cl)[N+](=O)[O-]
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.019g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.606g/mol
Monoisotopic Mass:
201.019g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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