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Home > Nitro Compounds > 172508-14-4
172508-14-4 | 2-(4-nitrobenzyl)thiophene
CAS No: 172508-14-4 Catalog No: AG01CU6B MDL No:MFCD12022283
Product Description
Catalog Number:
AG01CU6B
Chemical Name:
2-(4-nitrobenzyl)thiophene
CAS Number:
172508-14-4
Molecular Formula:
C11H9NO2S
Molecular Weight:
219.2597
MDL Number:
MFCD12022283
IUPAC Name:
2-[(4-nitrophenyl)methyl]thiophene
InChI:
InChI=1S/C11H9NO2S/c13-12(14)10-5-3-9(4-6-10)8-11-2-1-7-15-11/h1-7H,8H2
InChI Key:
ACXPKRJYQZVHPF-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)Cc1cccs1
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.035g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.258g/mol
Monoisotopic Mass:
219.035g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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