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128869-29-4 | Benzene, 1-chloro-4-[2-nitro-1-(2-propen-1-ylthio)ethyl]-
CAS No: 128869-29-4 Catalog No: AG000YFL MDL No:
Product Description
Catalog Number:
AG000YFL
Chemical Name:
Benzene, 1-chloro-4-[2-nitro-1-(2-propen-1-ylthio)ethyl]-
CAS Number:
128869-29-4
Molecular Formula:
C11H12ClNO2S
Molecular Weight:
257.7365
IUPAC Name:
1-chloro-4-(2-nitro-1-prop-2-enylsulfanylethyl)benzene
InChI:
InChI=1S/C11H12ClNO2S/c1-2-7-16-11(8-13(14)15)9-3-5-10(12)6-4-9/h2-6,11H,1,7-8H2
InChI Key:
BXFHTZGQVCCJQF-UHFFFAOYSA-N
SMILES:
C=CCSC(c1ccc(cc1)Cl)C[N+](=O)[O-]
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.028g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.732g/mol
Monoisotopic Mass:
257.028g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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