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75428-45-4 | 5-Nitrothiophene-3-carbaldehyde
CAS No: 75428-45-4 Catalog No: AG003HTB MDL No:MFCD00052581
Product Description
Catalog Number:
AG003HTB
Chemical Name:
5-Nitrothiophene-3-carbaldehyde
CAS Number:
75428-45-4
Molecular Formula:
C5H3NO3S
Molecular Weight:
157.1472
MDL Number:
MFCD00052581
IUPAC Name:
5-nitrothiophene-3-carbaldehyde
InChI:
InChI=1S/C5H3NO3S/c7-2-4-1-5(6(8)9)10-3-4/h1-3H
InChI Key:
JYVNBTUBCTXNBI-UHFFFAOYSA-N
SMILES:
O=Cc1csc(c1)[N+](=O)[O-]
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.983g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
157.143g/mol
Monoisotopic Mass:
156.983g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
91.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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