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Home > Nitro Compounds > 1172121-13-9
1172121-13-9 | 2-methyl-5-(3-nitrophenyl)thiophene
CAS No: 1172121-13-9 Catalog No: AG01BOZ5 MDL No:MFCD30499725
Product Description
Catalog Number:
AG01BOZ5
Chemical Name:
2-methyl-5-(3-nitrophenyl)thiophene
CAS Number:
1172121-13-9
Molecular Formula:
C11H9NO2S
Molecular Weight:
219.2597
MDL Number:
MFCD30499725
IUPAC Name:
2-methyl-5-(3-nitrophenyl)thiophene
InChI:
InChI=1S/C11H9NO2S/c1-8-5-6-11(15-8)9-3-2-4-10(7-9)12(13)14/h2-7H,1H3
InChI Key:
YCZRLEHJFAQMJK-UHFFFAOYSA-N
SMILES:
Cc1ccc(s1)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
241
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:
1
Topological Polar Surface Area:
74.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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