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Home > Nitro Compounds > 152645-33-5
152645-33-5 | 5-Methyl-2-nitrophenyl isocyanate
CAS No: 152645-33-5 Catalog No: AG003MVB MDL No:
Product Description
Catalog Number:
AG003MVB
Chemical Name:
5-Methyl-2-nitrophenyl isocyanate
CAS Number:
152645-33-5
IUPAC Name:
2-isocyanato-4-methyl-1-nitrobenzene
InChI:
InChI=1S/C8H6N2O3/c1-6-2-3-8(10(12)13)7(4-6)9-5-11/h2-4H,1H3
InChI Key:
XRYLXAIOORHIOB-UHFFFAOYSA-N
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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