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Home > Nitro Compounds > 213462-01-2
213462-01-2 | 4-(4-nitrophenyl)-4H,5H,6H,7H-thieno[3,2-c]pyridine
CAS No: 213462-01-2 Catalog No: AG00INC8 MDL No:MFCD06797378
Product Description
Catalog Number:
AG00INC8
Chemical Name:
4-(4-nitrophenyl)-4H,5H,6H,7H-thieno[3,2-c]pyridine
CAS Number:
213462-01-2
Molecular Formula:
C13H12N2O2S
Molecular Weight:
260.3116
MDL Number:
MFCD06797378
IUPAC Name:
4-(4-nitrophenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
InChI:
InChI=1S/C13H12N2O2S/c16-15(17)10-3-1-9(2-4-10)13-11-6-8-18-12(11)5-7-14-13/h1-4,6,8,13-14H,5,7H2
InChI Key:
ASFTWKZVZQBHNX-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)C1NCCc2c1ccs2
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.062g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
260.311g/mol
Monoisotopic Mass:
260.062g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
86.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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