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Home > Nitro Compounds > 56309-59-2
56309-59-2 | 2-METHYL-4-NITROPHENYL ISOCYANATE
CAS No: 56309-59-2 Catalog No: AG003HNA MDL No:MFCD00014704
Product Description
Catalog Number:
AG003HNA
Chemical Name:
2-METHYL-4-NITROPHENYL ISOCYANATE
CAS Number:
56309-59-2
Molecular Formula:
C8H6N2O3
Molecular Weight:
178.1448
MDL Number:
MFCD00014704
IUPAC Name:
1-isocyanato-2-methyl-4-nitrobenzene
InChI:
InChI=1S/C8H6N2O3/c1-6-4-7(10(12)13)2-3-8(6)9-5-11/h2-4H,1H3
InChI Key:
FZCFUPBIPMLIPI-UHFFFAOYSA-N
SMILES:
O=C=Nc1ccc(cc1C)[N+](=O)[O-]
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
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