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99894-29-8 | Thiophene, 3-iodo-4-nitro-
CAS No: 99894-29-8 Catalog No: AG004TPL MDL No:MFCD28667751
Product Description
Catalog Number:
AG004TPL
Chemical Name:
Thiophene, 3-iodo-4-nitro-
CAS Number:
99894-29-8
Molecular Formula:
C4H2INO2S
Molecular Weight:
255.0337
MDL Number:
MFCD28667751
IUPAC Name:
3-iodo-4-nitrothiophene
InChI:
InChI=1S/C4H2INO2S/c5-3-1-9-2-4(3)6(7)8/h1-2H
InChI Key:
AFAVCCBAUUIATL-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cscc1I
Properties
Complexity:
126
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.885g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.029g/mol
Monoisotopic Mass:
254.885g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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