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860597-16-6 | 4-Chloro-3-phenylbenzoic acid
CAS No: 860597-16-6 Catalog No: AG004PEX MDL No:MFCD11577107
Product Description
Catalog Number:
AG004PEX
Chemical Name:
4-Chloro-3-phenylbenzoic acid
CAS Number:
860597-16-6
Molecular Formula:
C13H9ClO2
Molecular Weight:
232.6624
MDL Number:
MFCD11577107
IUPAC Name:
4-chloro-3-phenylbenzoic acid
InChI:
InChI=1S/C13H9ClO2/c14-12-7-6-10(13(15)16)8-11(12)9-4-2-1-3-5-9/h1-8H,(H,15,16)
InChI Key:
YVUUMTVLLLZDAL-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c(c1)c1ccccc1)Cl
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.029g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
232.663g/mol
Monoisotopic Mass:
232.029g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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