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Home > Nitro Compounds > 42137-23-5
42137-23-5 | 5-Nitrothiophene-3-carbonitrile
CAS No: 42137-23-5 Catalog No: AG003HTA MDL No:MFCD00052580
Product Description
Catalog Number:
AG003HTA
Chemical Name:
5-Nitrothiophene-3-carbonitrile
CAS Number:
42137-23-5
Molecular Formula:
C5H2N2O2S
Molecular Weight:
154.1466
MDL Number:
MFCD00052580
IUPAC Name:
5-nitrothiophene-3-carbonitrile
InChI:
InChI=1S/C5H2N2O2S/c6-2-4-1-5(7(8)9)10-3-4/h1,3H
InChI Key:
NACMZLGGHMPMKQ-UHFFFAOYSA-N
SMILES:
N#Cc1csc(c1)[N+](=O)[O-]
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.984g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
154.143g/mol
Monoisotopic Mass:
153.984g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
97.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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