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Home > Nitro Compounds > 1018239-20-7
1018239-20-7 | 2-(1-(4-methoxyphenyl)-2-nitroethyl)thiophene
CAS No: 1018239-20-7 Catalog No: AG0166WD MDL No:
Product Description
Catalog Number:
AG0166WD
Chemical Name:
2-(1-(4-methoxyphenyl)-2-nitroethyl)thiophene
CAS Number:
1018239-20-7
Molecular Formula:
C13H13NO3S
Molecular Weight:
263.3122
IUPAC Name:
2-[1-(4-methoxyphenyl)-2-nitroethyl]thiophene
InChI:
InChI=1S/C13H13NO3S/c1-17-11-6-4-10(5-7-11)12(9-14(15)16)13-3-2-8-18-13/h2-8,12H,9H2,1H3
InChI Key:
ASELFLQQGOBIJS-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(c1cccs1)C[N+](=O)[O-]
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.062g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.311g/mol
Monoisotopic Mass:
263.062g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
83.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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