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Home > Nitro Compounds > 33484-67-2
33484-67-2 | 2-Methoxy-4-nitrophenyl isocyanate
CAS No: 33484-67-2 Catalog No: AG003HJ0 MDL No:MFCD00037066
Product Description
Catalog Number:
AG003HJ0
Chemical Name:
2-Methoxy-4-nitrophenyl isocyanate
CAS Number:
33484-67-2
Molecular Formula:
C8H6N2O4
Molecular Weight:
194.1442
MDL Number:
MFCD00037066
IUPAC Name:
1-isocyanato-2-methoxy-4-nitrobenzene
InChI:
InChI=1S/C8H6N2O4/c1-14-8-4-6(10(12)13)2-3-7(8)9-5-11/h2-4H,1H3
InChI Key:
VOTZJLLPYYCZRY-UHFFFAOYSA-N
SMILES:
O=C=Nc1ccc(cc1OC)[N+](=O)[O-]
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.033g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.146g/mol
Monoisotopic Mass:
194.033g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
84.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| Di-(2-ethylhexyl) phthalate enhances skin sensitization to isocyanate haptens in mice. | Toxicology letters 20100201 |
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