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1261944-08-4 | [1,1'-Biphenyl]-4-carboxylic acid, 3-chloro-3'-(methylthio)-
CAS No: 1261944-08-4 Catalog No: AG000S86 MDL No:MFCD18320505
Product Description
Catalog Number:
AG000S86
Chemical Name:
[1,1'-Biphenyl]-4-carboxylic acid, 3-chloro-3'-(methylthio)-
CAS Number:
1261944-08-4
Molecular Formula:
C14H11ClO2S
Molecular Weight:
278.7539
MDL Number:
MFCD18320505
IUPAC Name:
2-chloro-4-(3-methylsulfanylphenyl)benzoic acid
InChI:
InChI=1S/C14H11ClO2S/c1-18-11-4-2-3-9(7-11)10-5-6-12(14(16)17)13(15)8-10/h2-8H,1H3,(H,16,17)
InChI Key:
GTMNOIXXPJLALF-UHFFFAOYSA-N
SMILES:
CSc1cccc(c1)c1ccc(c(c1)Cl)C(=O)O
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.017g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
278.75g/mol
Monoisotopic Mass:
278.017g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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