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108128-49-0 | 4-Ethoxy-2-nitrophenyl isocyanate
CAS No: 108128-49-0 Catalog No: AG003LB2 MDL No:
Product Description
Catalog Number:
AG003LB2
Chemical Name:
4-Ethoxy-2-nitrophenyl isocyanate
CAS Number:
108128-49-0
IUPAC Name:
4-ethoxy-1-isocyanato-2-nitrobenzene
InChI:
InChI=1S/C9H8N2O4/c1-2-15-7-3-4-8(10-6-12)9(5-7)11(13)14/h3-5H,2H2,1H3
InChI Key:
ANUZRQJHDHUGTM-UHFFFAOYSA-N
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.048g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.173g/mol
Monoisotopic Mass:
208.048g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
84.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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