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Home > Nitro Compounds > 261171-53-3
261171-53-3 | THIOPHENE, 2-[1-(NITROMETHYL)ETHENYL]-
CAS No: 261171-53-3 Catalog No: AG002RQ2 MDL No:
Product Description
Catalog Number:
AG002RQ2
Chemical Name:
THIOPHENE, 2-[1-(NITROMETHYL)ETHENYL]-
CAS Number:
261171-53-3
Molecular Formula:
C7H7NO2S
Molecular Weight:
169.2010
IUPAC Name:
2-(3-nitroprop-1-en-2-yl)thiophene
InChI:
InChI=1S/C7H7NO2S/c1-6(5-8(9)10)7-3-2-4-11-7/h2-4H,1,5H2
InChI Key:
PGFNHECPVZSHBS-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)CC(=C)c1cccs1
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.02g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.198g/mol
Monoisotopic Mass:
169.02g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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