Home Nitro Compounds 33484-67-2
33484-67-2,MFCD00037066
Catalog No.:AA003HG8
33484-67-2 | 1-Isocyanato-2-methoxy-4-nitrobenzene
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  • Technical Information
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  • Technical Information
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Technical Information
Catalog Number:
AA003HG8
Chemical Name:
1-Isocyanato-2-methoxy-4-nitrobenzene
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
Computed 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  

Synonyms
 
1-isocyanato-2-methoxy-4-nitrobenzene 
33484-67-2 
SCHEMBL1147043 
CTK4H0657 
DTXSID70392989 
VOTZJLLPYYCZRY-UHFFFAOYSA-N 
ALBB-003038 
ZINC4978011 
2-methoxy-4-nitrophenyl iso-cyanate 
BBL037657 
MFCD00037066 
STK502558 
2-Methoxy-4-nitrophenyl isocyanate 
AKOS000265482 
AKOS015912812 
MCULE-7101967479 
Benzene,1-isocyanato-2-methoxy-4-nitro- 
2-Methoxy-4-nitrophenyl isocyanate, 97% 
Benzene, 1-isocyanato-2-methoxy-4-nitro- 
TR-053068 
W-6317 
J-019208 
I14-49051 
2-methoxy-4-nitrophenylisocyanate 
2-isocyanato-1-methoxy-4-nitrobenzene 
CID3492022 
1-isocyanato-2-methoxy-4-nitro-benzene 
2-isocyanato-5-nitrophenyl methyl ether 
CHEBI:60066 
AC1MRFCX 
ACMC-1AD0J 
Epitope ID:140102 
AC1Q44X4 
Literature

Title: Di-(2-ethylhexyl) phthalate enhances skin sensitization to isocyanate haptens in mice.

Journal: Toxicology letters 20100201

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