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Home > Nitro Compounds > 89114-65-8
89114-65-8 | 2-Thiophenecarbonitrile, 5-(4-nitrophenyl)-
CAS No: 89114-65-8 Catalog No: AG003ZIS MDL No:
Product Description
Catalog Number:
AG003ZIS
Chemical Name:
2-Thiophenecarbonitrile, 5-(4-nitrophenyl)-
CAS Number:
89114-65-8
Molecular Formula:
C11H6N2O2S
Molecular Weight:
230.2425
IUPAC Name:
5-(4-nitrophenyl)thiophene-2-carbonitrile
InChI:
InChI=1S/C11H6N2O2S/c12-7-10-5-6-11(16-10)8-1-3-9(4-2-8)13(14)15/h1-6H
InChI Key:
PGBLRLAMGQVKMS-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(s1)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.015g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.241g/mol
Monoisotopic Mass:
230.015g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
97.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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