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29169-64-0

29169-64-0 | Benzeneacetyl chloride, α-(formyloxy)-, (αR)-

CAS No: 29169-64-0 Catalog No: AG002XJ3 MDL No:MFCD00799229

Product Description

Catalog Number:
AG002XJ3
Chemical Name:
Benzeneacetyl chloride, α-(formyloxy)-, (αR)-
CAS Number:
29169-64-0
Molecular Formula:
C9H7ClO3
Molecular Weight:
198.6031
MDL Number:
MFCD00799229
IUPAC Name:
[(1R)-2-chloro-2-oxo-1-phenylethyl] formate
InChI:
InChI=1S/C9H7ClO3/c10-9(12)8(13-6-11)7-4-2-1-3-5-7/h1-6,8H/t8-/m1/s1
InChI Key:
ZNLABNPTWSKGDX-MRVPVSSYSA-N
SMILES:
O=CO[C@H](c1ccccc1)C(=O)Cl
EC Number:
249-478-4

Properties

Complexity:
187  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
198.008g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.602g/mol
Monoisotopic Mass:
198.008g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  

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