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84697-16-5 | Carbonochloridic acid,2-chloro-2-phenylethyl ester
CAS No: 84697-16-5 Catalog No: AG004SNG MDL No:
Product Description
Catalog Number:
AG004SNG
Chemical Name:
Carbonochloridic acid,2-chloro-2-phenylethyl ester
CAS Number:
84697-16-5
Molecular Formula:
C9H8Cl2O2
Molecular Weight:
219.0646
IUPAC Name:
(2-chloro-2-phenylethyl) carbonochloridate
InChI:
InChI=1S/C9H8Cl2O2/c10-8(6-13-9(11)12)7-4-2-1-3-5-7/h1-5,8H,6H2
InChI Key:
OTRYZZCHZJTDCZ-UHFFFAOYSA-N
SMILES:
ClC(c1ccccc1)COC(=O)Cl
EC Number:
283-726-2
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.99g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.061g/mol
Monoisotopic Mass:
217.99g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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