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Home > Nitro Compounds > 74610-87-0
74610-87-0 | 2-Ethynyl-5-nitrothiophene
CAS No: 74610-87-0 Catalog No: AG005J43 MDL No:
Product Description
Catalog Number:
AG005J43
Chemical Name:
2-Ethynyl-5-nitrothiophene
CAS Number:
74610-87-0
Molecular Formula:
C6H3NO2S
Molecular Weight:
153.1585
IUPAC Name:
2-ethynyl-5-nitrothiophene
InChI:
InChI=1S/C6H3NO2S/c1-2-5-3-4-6(10-5)7(8)9/h1,3-4H
InChI Key:
JGYQLWPBUHPEOJ-UHFFFAOYSA-N
SMILES:
C#Cc1ccc(s1)[N+](=O)[O-]
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.988g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
153.155g/mol
Monoisotopic Mass:
152.988g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
74.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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