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Home > Nitro Compounds > 1355247-56-1
1355247-56-1 | 1-(Methylsulfanyl)-4-(3-nitrophenyl)benzene
CAS No: 1355247-56-1 Catalog No: AG00HU7I MDL No:MFCD21332991
Product Description
Catalog Number:
AG00HU7I
Chemical Name:
1-(Methylsulfanyl)-4-(3-nitrophenyl)benzene
CAS Number:
1355247-56-1
Molecular Formula:
C13H11NO2S
Molecular Weight:
245.2969
MDL Number:
MFCD21332991
IUPAC Name:
1-(4-methylsulfanylphenyl)-3-nitrobenzene
InChI:
InChI=1S/C13H11NO2S/c1-17-13-7-5-10(6-8-13)11-3-2-4-12(9-11)14(15)16/h2-9H,1H3
InChI Key:
UCHHOWVIGUSTKS-UHFFFAOYSA-N
SMILES:
CSc1ccc(cc1)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.051g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.296g/mol
Monoisotopic Mass:
245.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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