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1261955-02-5 | [1,1'-Biphenyl]-4-carboxylic acid, 3-chloro-4'-(1,1-dimethylethyl)-
CAS No: 1261955-02-5 Catalog No: AG000S8Q MDL No:MFCD18321120
Product Description
Catalog Number:
AG000S8Q
Chemical Name:
[1,1'-Biphenyl]-4-carboxylic acid, 3-chloro-4'-(1,1-dimethylethyl)-
CAS Number:
1261955-02-5
Molecular Formula:
C17H17ClO2
Molecular Weight:
288.7687
MDL Number:
MFCD18321120
IUPAC Name:
4-(4-tert-butylphenyl)-2-chlorobenzoic acid
InChI:
InChI=1S/C17H17ClO2/c1-17(2,3)13-7-4-11(5-8-13)12-6-9-14(16(19)20)15(18)10-12/h4-10H,1-3H3,(H,19,20)
InChI Key:
OIFZCPFICBJFFO-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1Cl)c1ccc(cc1)C(C)(C)C
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.092g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
288.771g/mol
Monoisotopic Mass:
288.092g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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