Home Nitro Compounds 56327-78-7
56327-78-7,MFCD01863689
Catalog No.:AA003HLD
56327-78-7 | 2-Methyl-6-nitrophenyl isocyanate
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Technical Information
Catalog Number:
AA003HLD
Chemical Name:
2-Methyl-6-nitrophenyl isocyanate
CAS Number:
56327-78-7
Molecular Formula:
C8H6N2O3
Molecular Weight:
178.1448
MDL Number:
MFCD01863689
IUPAC Name:
2-isocyanato-1-methyl-3-nitrobenzene
InChI:
InChI=1S/C8H6N2O3/c1-6-3-2-4-7(10(12)13)8(6)9-5-11/h2-4H,1H3
InChI Key:
WIYDOZQPANZDMW-UHFFFAOYSA-N
SMILES:
O=C=Nc1c(C)cccc1[N+](=O)[O-]
Properties
Computed Properties
 
Complexity:
242  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.038g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.147g/mol
Monoisotopic Mass:
178.038g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
75.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  

Synonyms
 
2-Methyl-6-nitrophenyl isocyanate 
56327-78-7 
ZINC4979182 
AKOS005202896 
Benzene,2-isocyanato-1-methyl-3-nitro- 
2-Methyl-6-nitrophenyl isocyanate, 97% 
TC-170432 
2-METHYL-6-NITROPHENYL ISOCYANATE 97 
Z2235790135 
2-isocyanato-1-methyl-3-nitro-benzene 
CID3571359 
Benzene, 2-isocyanato-1-methyl-3-nitro- (9CI) 
2-isocyanato-1-methyl-3-nitrobenzene 
ACMC-20anqh 
AC1MT80X 
AC1Q2N9F 
SCHEMBL3842417 
2-methyl-6-nitrophenylisocyanate 
CTK8C6030 
DTXSID50393752 
Literature
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