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Home > Nitro Compounds > 20898-85-5
20898-85-5 | 2-Thiophenemethanol, 5-nitro-
CAS No: 20898-85-5 Catalog No: AG002JZB MDL No:MFCD06202767
Product Description
Catalog Number:
AG002JZB
Chemical Name:
2-Thiophenemethanol, 5-nitro-
CAS Number:
20898-85-5
Molecular Formula:
C5H5NO3S
Molecular Weight:
159.1631
MDL Number:
MFCD06202767
IUPAC Name:
(5-nitrothiophen-2-yl)methanol
InChI:
InChI=1S/C5H5NO3S/c7-3-4-1-2-5(10-4)6(8)9/h1-2,7H,3H2
InChI Key:
QYNOWSBTIMNUDS-UHFFFAOYSA-N
SMILES:
OCc1ccc(s1)[N+](=O)[O-]
NSC Number:
330182
Properties
Complexity:
135
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.999g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
159.159g/mol
Monoisotopic Mass:
158.999g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
94.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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