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130474-89-4 | Benzene, 1-chloro-2,4-diethoxy-5-nitro-
CAS No: 130474-89-4 Catalog No: AG000UGX MDL No:
Product Description
Catalog Number:
AG000UGX
Chemical Name:
Benzene, 1-chloro-2,4-diethoxy-5-nitro-
CAS Number:
130474-89-4
Molecular Formula:
C10H12ClNO4
Molecular Weight:
245.6596
IUPAC Name:
1-chloro-2,4-diethoxy-5-nitrobenzene
InChI:
InChI=1S/C10H12ClNO4/c1-3-15-9-6-10(16-4-2)8(12(13)14)5-7(9)11/h5-6H,3-4H2,1-2H3
InChI Key:
NHRNYWREQSDQBI-UHFFFAOYSA-N
SMILES:
CCOc1cc(OCC)c(cc1Cl)[N+](=O)[O-]
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.045g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.659g/mol
Monoisotopic Mass:
245.045g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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