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129720-18-9 | [1,1'-Biphenyl]-4-carboxylic acid, 3'-chloro-4'-pentyl-
CAS No: 129720-18-9 Catalog No: AG000TMJ MDL No:
Product Description
Catalog Number:
AG000TMJ
Chemical Name:
[1,1'-Biphenyl]-4-carboxylic acid, 3'-chloro-4'-pentyl-
CAS Number:
129720-18-9
Molecular Formula:
C18H19ClO2
Molecular Weight:
302.7953
IUPAC Name:
4-(3-chloro-4-pentylphenyl)benzoic acid
InChI:
InChI=1S/C18H19ClO2/c1-2-3-4-5-14-8-11-16(12-17(14)19)13-6-9-15(10-7-13)18(20)21/h6-12H,2-5H2,1H3,(H,20,21)
InChI Key:
KZRQBOMUISHZEO-UHFFFAOYSA-N
SMILES:
CCCCCc1ccc(cc1Cl)c1ccc(cc1)C(=O)O
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.107g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
302.798g/mol
Monoisotopic Mass:
302.107g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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