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Home > Nitro Compounds > 19056-31-6
19056-31-6 | Ethanol, 1-[(4-nitrophenyl)thio]-
CAS No: 19056-31-6 Catalog No: AG002EMF MDL No:
Product Description
Catalog Number:
AG002EMF
Chemical Name:
Ethanol, 1-[(4-nitrophenyl)thio]-
CAS Number:
19056-31-6
Molecular Formula:
C8H9NO3S
Molecular Weight:
199.2270
IUPAC Name:
1-(4-nitrophenyl)sulfanylethanol
InChI:
InChI=1S/C8H9NO3S/c1-6(10)13-8-4-2-7(3-5-8)9(11)12/h2-6,10H,1H3
InChI Key:
LCBNKQFQRNKMMY-UHFFFAOYSA-N
SMILES:
CC(Sc1ccc(cc1)[N+](=O)[O-])O
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.03g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
199.224g/mol
Monoisotopic Mass:
199.03g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
91.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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