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Home > Nitro Compounds > 98487-88-8
98487-88-8 | 2-(4-nitrophenoxy)ethane-1-thiol
CAS No: 98487-88-8 Catalog No: AG01BV22 MDL No:MFCD23816844
Product Description
Catalog Number:
AG01BV22
Chemical Name:
2-(4-nitrophenoxy)ethane-1-thiol
CAS Number:
98487-88-8
Molecular Formula:
C8H9NO3S
Molecular Weight:
199.2270
MDL Number:
MFCD23816844
IUPAC Name:
2-(4-nitrophenoxy)ethanethiol
InChI:
InChI=1S/C8H9NO3S/c10-9(11)7-1-3-8(4-2-7)12-5-6-13/h1-4,13H,5-6H2
InChI Key:
LRZWPAIFMPOCBZ-UHFFFAOYSA-N
SMILES:
SCCOc1ccc(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:
56A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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