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Home > Nitro Compounds > 1081815-80-6
1081815-80-6 | 4-Methoxy-3-nitrophenylisothiocyanate
CAS No: 1081815-80-6 Catalog No: AG01FCVD MDL No:MFCD12547776
Product Description
Catalog Number:
AG01FCVD
Chemical Name:
4-Methoxy-3-nitrophenylisothiocyanate
CAS Number:
1081815-80-6
Molecular Formula:
C8H6N2O3S
Molecular Weight:
210.2098
MDL Number:
MFCD12547776
IUPAC Name:
4-isothiocyanato-1-methoxy-2-nitrobenzene
InChI:
InChI=1S/C8H6N2O3S/c1-13-8-3-2-6(9-5-14)4-7(8)10(11)12/h2-4H,1H3
InChI Key:
ZOLOGBILGRDVSU-UHFFFAOYSA-N
SMILES:
S=C=Nc1ccc(c(c1)[N+](=O)[O-])OC
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
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