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Home > Nitro Compounds > 117162-85-3
117162-85-3 | Benzene, 1-isocyanato-4-methoxy-2-nitro-
CAS No: 117162-85-3 Catalog No: AG000DTF MDL No:MFCD01863696
Product Description
Catalog Number:
AG000DTF
Chemical Name:
Benzene, 1-isocyanato-4-methoxy-2-nitro-
CAS Number:
117162-85-3
Molecular Formula:
C8H6N2O4
Molecular Weight:
194.1442
MDL Number:
MFCD01863696
IUPAC Name:
1-isocyanato-4-methoxy-2-nitrobenzene
InChI:
InChI=1S/C8H6N2O4/c1-14-6-2-3-7(9-5-11)8(4-6)10(12)13/h2-4H,1H3
InChI Key:
FSQHKLWMIIFYNP-UHFFFAOYSA-N
SMILES:
O=C=Nc1ccc(cc1[N+](=O)[O-])OC
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:
2.6
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