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Home > Nitro Compounds > 1521448-00-9
1521448-00-9 | 2-(3-NITROPHENOXY)ETHANE-1-THIOL
CAS No: 1521448-00-9 Catalog No: AG01BYF2 MDL No:MFCD23817068
Product Description
Catalog Number:
AG01BYF2
Chemical Name:
2-(3-NITROPHENOXY)ETHANE-1-THIOL
CAS Number:
1521448-00-9
Molecular Formula:
C8H9NO3S
Molecular Weight:
199.2270
MDL Number:
MFCD23817068
IUPAC Name:
2-(3-nitrophenoxy)ethanethiol
InChI:
InChI=1S/C8H9NO3S/c10-9(11)7-2-1-3-8(6-7)12-4-5-13/h1-3,6,13H,4-5H2
InChI Key:
LSMSLTVSNBSDAB-UHFFFAOYSA-N
SMILES:
SCCOc1cccc(c1)[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:
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:
56A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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