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113736-78-0 | Phenol, 4-(dichlorophenylmethyl)-, 1-benzoate
CAS No: 113736-78-0 Catalog No: AG0009HU MDL No:
Product Description
Catalog Number:
AG0009HU
Chemical Name:
Phenol, 4-(dichlorophenylmethyl)-, 1-benzoate
CAS Number:
113736-78-0
Molecular Formula:
C20H14Cl2O2
Molecular Weight:
357.2300
IUPAC Name:
benzoic acid;4-[dichloro(phenyl)methyl]phenol
InChI:
InChI=1S/C13H10Cl2O.C7H6O2/c14-13(15,10-4-2-1-3-5-10)11-6-8-12(16)9-7-11;8-7(9)6-4-2-1-3-5-6/h1-9,16H;1-5H,(H,8,9)
InChI Key:
VTAHQXHLBQKLAG-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)Oc1ccc(cc1)C(c1ccccc1)(Cl)Cl
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
374.048g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
375.245g/mol
Monoisotopic Mass:
374.048g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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