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Home > Nitro Compounds > 477847-98-6
477847-98-6 | (2E)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-3-(2-nitrophenyl)prop-2-en-1-one
CAS No: 477847-98-6 Catalog No: AG00IP0V MDL No:MFCD02082644
Product Description
Catalog Number:
AG00IP0V
Chemical Name:
(2E)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-3-(2-nitrophenyl)prop-2-en-1-one
CAS Number:
477847-98-6
Molecular Formula:
C19H14N2O3S
Molecular Weight:
350.3911
MDL Number:
MFCD02082644
IUPAC Name:
1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-3-(2-nitrophenyl)prop-2-en-1-one
InChI:
InChI=1S/C19H14N2O3S/c1-13-18(25-19(20-13)15-8-3-2-4-9-15)17(22)12-11-14-7-5-6-10-16(14)21(23)24/h2-12H,1H3
InChI Key:
QCZPUUPRAGHGNP-UHFFFAOYSA-N
SMILES:
O=C(c1sc(nc1C)c1ccccc1)/C=C/c1ccccc1[N+](=O)[O-]
Properties
Complexity:
513
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.073g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
350.392g/mol
Monoisotopic Mass:
350.073g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.9
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