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Home > Nitro Compounds > 1354952-54-7
1354952-54-7 | 1-(2-isocyanatoethyl)-2-nitrobenzene
CAS No: 1354952-54-7 Catalog No: AG019S4Z MDL No:MFCD20441771
Product Description
Catalog Number:
AG019S4Z
Chemical Name:
1-(2-isocyanatoethyl)-2-nitrobenzene
CAS Number:
1354952-54-7
Molecular Formula:
C9H8N2O3
Molecular Weight:
192.1714
MDL Number:
MFCD20441771
IUPAC Name:
1-(2-isocyanatoethyl)-2-nitrobenzene
InChI:
InChI=1S/C9H8N2O3/c12-7-10-6-5-8-3-1-2-4-9(8)11(13)14/h1-4H,5-6H2
InChI Key:
ASPBFBMEOAEJNS-UHFFFAOYSA-N
SMILES:
O=C=NCCc1ccccc1[N+](=O)[O-]
Properties
Complexity:
243
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:
3
Topological Polar Surface Area:
75.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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