Benzeneacetylchloride, a-(acetyloxy)-, (aR)-, Benzeneacetylchloride, a-(acetyloxy)-, (aR)- supplier,49845-69-4 buy, Benzeneacetylchloride, a-(acetyloxy)-, (aR)- price CAS NO.49845-69-4

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1. Introduction of Benzeneacetylchloride, a-(acetyloxy)-, (aR)-

The Benzeneacetylchloride, a-(acetyloxy)-, (aR)-, with its CAS NO 49845-69-4, is a kind of powder. It has synonyms of 
Benzeneacetylchloride, a-(acetyloxy)-, (R)-; (R)-(-)-Acetylmandeloyl chloride;(R)-2-Acetoxy-2-phenylacetyl chloride; (R)-a-Acetoxybenzeneacetylchloride; D-2-Acetoxy-2-phenylacetyl chloride; O-Acetyl-D-(-)-mandeloylchloride  O-Acetyl-D-mandeloyl chloride.

2. Properties of Benzeneacetylchloride, a-(acetyloxy)-, (aR)-

(1) XLogP3-AA 1.5  (2) H-Bond Don1  (3) H-Bond Accept3
(4) Rotatable Bond Count 3  (5) Tautomer Count 2  (6) Exact Mass 212.024022
(7) MonoIsotopic Mass 212.024022  (8) Topological Polar Surface Area 54.4
(9) Heavy Atom Count 14  (10) Complexity 240  (11) Undefined Atom Stereocenter Count 1
(12) Covalently-Bonded Unit Count 1  (13) Feature 3D AcceptCount 2
(14) Feature 3D DonCount 1  (15) Feature 3D Ring Count 1  (16) Effective RotCount 3
(17) Conformer Sampling RMSD 0.6  (18) CID Conformer Count 56
 

3. Structure descriptors of Benzeneacetylchloride, a-(acetyloxy)-, (aR)-

IUPAC Name: 2-(2-acetylphenyl)-2-hydroxyacetyl chloride

InChI: InChI=1S/C10H9ClO3/c1-6(12)7-4-2-3-5-8(7)9(13)10(11)14/h2-5,9,13H,1H3

InChIKey: KZKKRAVNYHSDCG-UHFFFAOYSA-N

Canonical SMILES : CC(=O)C1=CC=CC=C1C(C(=O)Cl)O