Home Nitros Benzene, 1-isothiocyanato-2-methoxy-4-nitro-

Benzene, 1-isothiocyanato-2-methoxy-4-nitro-

CAS No.:
190774-55-1
Catalog Number:
AG002ESD
Molecular Formula:
C8H6N2O3S
Molecular Weight:
210.2098
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Product Description
Catalog Number:
AG002ESD
Chemical Name:
Benzene, 1-isothiocyanato-2-methoxy-4-nitro-
CAS Number:
190774-55-1
Molecular Formula:
C8H6N2O3S
Molecular Weight:
210.2098
MDL Number:
MFCD00041379
IUPAC Name:
1-isothiocyanato-2-methoxy-4-nitrobenzene
InChI:
InChI=1S/C8H6N2O3S/c1-13-8-4-6(10(11)12)2-3-7(8)9-5-14/h2-4H,1H3
InChI Key:
NXWXXLFRMVILJN-UHFFFAOYSA-N
SMILES:
S=C=Nc1ccc(cc1OC)[N+](=O)[O-]
Properties
Complexity:
260  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.01g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.207g/mol
Monoisotopic Mass:
210.01g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
99.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties