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Home > Nitro Compounds > 647833-73-6
647833-73-6 | Methanone, (3-methoxy-2-thienyl)(4-nitrophenyl)-
CAS No: 647833-73-6 Catalog No: AG00H727 MDL No:
Product Description
Catalog Number:
AG00H727
Chemical Name:
Methanone, (3-methoxy-2-thienyl)(4-nitrophenyl)-
CAS Number:
647833-73-6
Molecular Formula:
C12H9NO4S
Molecular Weight:
263.2692
IUPAC Name:
(3-methoxythiophen-2-yl)-(4-nitrophenyl)methanone
InChI:
InChI=1S/C12H9NO4S/c1-17-10-6-7-18-12(10)11(14)8-2-4-9(5-3-8)13(15)16/h2-7H,1H3
InChI Key:
PJVVIODYAMHNIO-UHFFFAOYSA-N
SMILES:
COc1ccsc1C(=O)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.025g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.267g/mol
Monoisotopic Mass:
263.025g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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