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Home > Nitro Compounds > 331460-87-8
331460-87-8 | 4-(1,3-dithiolan-2-yl)-2-methoxy-6-nitrophenol
CAS No: 331460-87-8 Catalog No: AG00IZNC MDL No:MFCD00169565
Product Description
Catalog Number:
AG00IZNC
Chemical Name:
4-(1,3-dithiolan-2-yl)-2-methoxy-6-nitrophenol
CAS Number:
331460-87-8
Molecular Formula:
C10H11NO4S2
Molecular Weight:
273.3286
MDL Number:
MFCD00169565
IUPAC Name:
4-(1,3-dithiolan-2-yl)-2-methoxy-6-nitrophenol
InChI:
InChI=1S/C10H11NO4S2/c1-15-8-5-6(10-16-2-3-17-10)4-7(9(8)12)11(13)14/h4-5,10,12H,2-3H2,1H3
InChI Key:
ULFUOXVLFBJQIK-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1O)[N+](=O)[O-])C1SCCS1
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.013g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.321g/mol
Monoisotopic Mass:
273.013g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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