CAS
95465-70-6 Purity
96%
95465-70-6 Purity
96%
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Benzhydryl acetate
CAS
954-67-6
Catalog Number
ACM954676
Category
Other Products
Molecular Weight
354.184720 [g/mol]
Molecular Formula
C15H14O2
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Specification
Synonyms
Tresquim; Falcol; acetic acid diphenylmethyl ester; Aceclofenaco; Airtal; Aceclofenacum; acetic acid benzhydryl ester; Preservex; Gerbin; 1-acetoxy-1,1-diphenyl-methane; benzylic acetate; Aceclofar;
IUPAC Name
2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyacetic acid
Canonical SMILES
C1=CC=C(C(=C1)CC(=O)OCC(=O)O)NC2=C(C=CC=C2Cl)Cl
InChI Key
MNIPYSSQXLZQLJ-UHFFFAOYSA-N
Boiling Point
316ºC at 760 mmHg
Flash Point
127.6ºC
Density
1.097g/cm³
EC Number
920-224-0
Exact Mass
226.09900
H-Bond Acceptor
5
H-Bond Donor
2
What is the molecular formula of Benzhydryl acetate?
The molecular formula of Benzhydryl acetate is C15H14O2.
What is the molecular weight of Benzhydryl acetate?
The molecular weight of Benzhydryl acetate is 226.27 g/mol.
What is the IUPAC name of Benzhydryl acetate?
The IUPAC name of Benzhydryl acetate is benzhydryl acetate.
What is the Canonical SMILES of Benzhydryl acetate?
The Canonical SMILES of Benzhydryl acetate is CC(=O)OC(C1=CC=CC=C1)C2=CC=CC=C2.
How many hydrogen bond acceptors are there in Benzhydryl acetate?
There are 2 hydrogen bond acceptors in Benzhydryl acetate.
What is the topological polar surface area of Benzhydryl acetate?
The topological polar surface area of Benzhydryl acetate is 26.3 Å2.
Is Benzhydryl acetate a canonicalized compound?
Yes, Benzhydryl acetate is a canonicalized compound.
What is the exact mass of Benzhydryl acetate?
The exact mass of Benzhydryl acetate is 226.099379685 g/mol.
How many rotatable bond counts are there in Benzhydryl acetate?
There are 4 rotatable bond counts in Benzhydryl acetate.
What is the complexity value of Benzhydryl acetate?
The complexity value of Benzhydryl acetate is 219.
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