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Home > Nitro Compounds > 302912-25-0
302912-25-0 | Benzene, 2-isocyanato-3,4-dimethyl-1-nitro-
CAS No: 302912-25-0 Catalog No: AG002ZIF MDL No:
Product Description
Catalog Number:
AG002ZIF
Chemical Name:
Benzene, 2-isocyanato-3,4-dimethyl-1-nitro-
CAS Number:
302912-25-0
Molecular Formula:
C9H8N2O3
Molecular Weight:
192.1714
IUPAC Name:
3-isocyanato-1,2-dimethyl-4-nitrobenzene
InChI:
InChI=1S/C9H8N2O3/c1-6-3-4-8(11(13)14)9(7(6)2)10-5-12/h3-4H,1-2H3
InChI Key:
GCYYCDNYQBZIKN-UHFFFAOYSA-N
SMILES:
O=C=Nc1c(ccc(c1C)C)[N+](=O)[O-]
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.053g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.174g/mol
Monoisotopic Mass:
192.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
75.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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