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6973-91-7 | Benzeneacetic acid, a-phenyl-,2-chloro-3-methoxypropyl ester
CAS No: 6973-91-7 Catalog No: AG005ID1 MDL No:
Product Description
Catalog Number:
AG005ID1
Chemical Name:
Benzeneacetic acid, a-phenyl-,2-chloro-3-methoxypropyl ester
CAS Number:
6973-91-7
Molecular Formula:
C18H19ClO3
Molecular Weight:
318.7947
IUPAC Name:
(2-chloro-3-methoxypropyl) 2,2-diphenylacetate
InChI:
InChI=1S/C18H19ClO3/c1-21-12-16(19)13-22-18(20)17(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,16-17H,12-13H2,1H3
InChI Key:
GTZPLJFLQKDOHF-UHFFFAOYSA-N
SMILES:
COCC(COC(=O)C(c1ccccc1)c1ccccc1)Cl
NSC Number:
41382
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.102g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.797g/mol
Monoisotopic Mass:
318.102g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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