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Home > Nitro Compounds > 1287790-76-4
1287790-76-4 | (2E)-1-(3-nitrophenyl)-3-(thiophen-2-yl)prop-2-en-1-one
CAS No: 1287790-76-4 Catalog No: AG00JU43 MDL No:MFCD00224970
Product Description
Catalog Number:
AG00JU43
Chemical Name:
(2E)-1-(3-nitrophenyl)-3-(thiophen-2-yl)prop-2-en-1-one
CAS Number:
1287790-76-4
Molecular Formula:
C13H9NO3S
Molecular Weight:
259.2805
MDL Number:
MFCD00224970
IUPAC Name:
1-(3-nitrophenyl)-3-thiophen-2-ylprop-2-en-1-one
InChI:
InChI=1S/C13H9NO3S/c15-13(7-6-12-5-2-8-18-12)10-3-1-4-11(9-10)14(16)17/h1-9H
InChI Key:
AXGFLBXACOBKOU-UHFFFAOYSA-N
SMILES:
O=C(c1cccc(c1)[N+](=O)[O-])/C=C/c1cccs1
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.03g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.279g/mol
Monoisotopic Mass:
259.03g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
91.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.2
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