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Home > Nitro Compounds > 170230-06-5
170230-06-5 | 2-methoxy-5-nitrobenzene-1-thiol
CAS No: 170230-06-5 Catalog No: AG01C27Q MDL No:MFCD29054925
Product Description
Catalog Number:
AG01C27Q
Chemical Name:
2-methoxy-5-nitrobenzene-1-thiol
CAS Number:
170230-06-5
Molecular Formula:
C7H7NO3S
Molecular Weight:
185.2004
MDL Number:
MFCD29054925
IUPAC Name:
2-methoxy-5-nitrobenzenethiol
InChI:
InChI=1S/C7H7NO3S/c1-11-6-3-2-5(8(9)10)4-7(6)12/h2-4,12H,1H3
InChI Key:
FPLAJOTZESYVIN-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1S)[N+](=O)[O-]
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.015g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
185.197g/mol
Monoisotopic Mass:
185.015g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
56A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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