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59607-71-5 | 4-METHOXY-2-NITROPHENYLTHIOCYANATE
CAS No: 59607-71-5 Catalog No: AG00F29I MDL No:MFCD01536032
Product Description
Catalog Number:
AG00F29I
Chemical Name:
4-METHOXY-2-NITROPHENYLTHIOCYANATE
CAS Number:
59607-71-5
Molecular Formula:
C8H6N2O3S
Molecular Weight:
210.2098
MDL Number:
MFCD01536032
IUPAC Name:
(4-methoxy-2-nitrophenyl) thiocyanate
InChI:
InChI=1S/C8H6N2O3S/c1-13-6-2-3-8(14-5-9)7(4-6)10(11)12/h2-4H,1H3
InChI Key:
NZBABHFYCIWRBJ-UHFFFAOYSA-N
SMILES:
N#CSc1ccc(cc1[N+](=O)[O-])OC
Properties
Complexity:
257
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:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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