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Home > Nitro Compounds > 100727-36-4
100727-36-4 | 1,1'-Biphenyl, 2-(methylthio)-4'-nitro-
CAS No: 100727-36-4 Catalog No: AG0002Q9 MDL No:MFCD21332978
Product Description
Catalog Number:
AG0002Q9
Chemical Name:
1,1'-Biphenyl, 2-(methylthio)-4'-nitro-
CAS Number:
100727-36-4
Molecular Formula:
C13H11NO2S
Molecular Weight:
245.2969
MDL Number:
MFCD21332978
IUPAC Name:
1-methylsulfanyl-2-(4-nitrophenyl)benzene
InChI:
InChI=1S/C13H11NO2S/c1-17-13-5-3-2-4-12(13)10-6-8-11(9-7-10)14(15)16/h2-9H,1H3
InChI Key:
CWBSWRVIZRRKMX-UHFFFAOYSA-N
SMILES:
CSc1ccccc1c1ccc(cc1)[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:
4.2
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