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75032-35-8

75032-35-8 | Benzene, 1-[2-(methylthio)ethoxy]-4-nitro-

CAS No: 75032-35-8 Catalog No: AG005RLE MDL No:

Product Description

Catalog Number:
AG005RLE
Chemical Name:
Benzene, 1-[2-(methylthio)ethoxy]-4-nitro-
CAS Number:
75032-35-8
Molecular Formula:
C9H11NO3S
Molecular Weight:
213.2535
IUPAC Name:
1-(2-methylsulfanylethoxy)-4-nitrobenzene
InChI:
InChI=1S/C9H11NO3S/c1-14-7-6-13-9-4-2-8(3-5-9)10(11)12/h2-5H,6-7H2,1H3
InChI Key:
FQJUTKJBMTUSPU-UHFFFAOYSA-N
SMILES:
CSCCOc1ccc(cc1)[N+](=O)[O-]

Properties

Complexity:
175  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.046g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.251g/mol
Monoisotopic Mass:
213.046g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
80.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  

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