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Home > Nitro Compounds > 832127-35-2
832127-35-2 | (2E)-3-(3-methylthiophen-2-yl)-1-(3-nitrophenyl)prop-2-en-1-one
CAS No: 832127-35-2 Catalog No: AG00JU49 MDL No:MFCD04135580
Product Description
Catalog Number:
AG00JU49
Chemical Name:
(2E)-3-(3-methylthiophen-2-yl)-1-(3-nitrophenyl)prop-2-en-1-one
CAS Number:
832127-35-2
Molecular Formula:
C14H11NO3S
Molecular Weight:
273.3070
MDL Number:
MFCD04135580
IUPAC Name:
(E)-3-(3-methylthiophen-2-yl)-1-(3-nitrophenyl)prop-2-en-1-one
InChI:
InChI=1S/C14H11NO3S/c1-10-7-8-19-14(10)6-5-13(16)11-3-2-4-12(9-11)15(17)18/h2-9H,1H3/b6-5+
InChI Key:
XOTDZUVSSHSFEC-AATRIKPKSA-N
SMILES:
O=C(c1cccc(c1)[N+](=O)[O-])/C=C/c1sccc1C
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
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:
0
XLogP3:
3.6
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