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Home > Nitro Compounds > 1699750-47-4
1699750-47-4 | (2E)-3-(5-methylthiophen-2-yl)-1-(4-nitrophenyl)prop-2-en-1-one
CAS No: 1699750-47-4 Catalog No: AG00JU1W MDL No:
Product Description
Catalog Number:
AG00JU1W
Chemical Name:
(2E)-3-(5-methylthiophen-2-yl)-1-(4-nitrophenyl)prop-2-en-1-one
CAS Number:
1699750-47-4
Molecular Formula:
C14H11NO3S
Molecular Weight:
273.3070
IUPAC Name:
3-(5-methylthiophen-2-yl)-1-(4-nitrophenyl)prop-2-en-1-one
InChI:
InChI=1S/C14H11NO3S/c1-10-2-7-13(19-10)8-9-14(16)11-3-5-12(6-4-11)15(17)18/h2-9H,1H3
InChI Key:
YCILUQVIRMVIOQ-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)[N+](=O)[O-])/C=C/c1ccc(s1)C
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.046g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.306g/mol
Monoisotopic Mass:
273.046g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
91.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.6
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