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Home > Nitro Compounds > 13287-76-8
13287-76-8 | Ethanol, 2-[(4-nitrophenyl)thio]-
CAS No: 13287-76-8 Catalog No: AG0011BG MDL No:MFCD00060548
Product Description
Catalog Number:
AG0011BG
Chemical Name:
Ethanol, 2-[(4-nitrophenyl)thio]-
CAS Number:
13287-76-8
Molecular Formula:
C8H9NO3S
Molecular Weight:
199.2270
MDL Number:
MFCD00060548
IUPAC Name:
2-(4-nitrophenyl)sulfanylethanol
InChI:
InChI=1S/C8H9NO3S/c10-5-6-13-8-3-1-7(2-4-8)9(11)12/h1-4,10H,5-6H2
InChI Key:
RVYZERYSWJUUJY-UHFFFAOYSA-N
SMILES:
OCCSc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
163
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:
3
Topological Polar Surface Area:
91.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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