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1253202-34-4 | Benzoic acid, 4-methoxy-, (2R)-3-chloro-2-hydroxypropyl ester
CAS No: 1253202-34-4 Catalog No: AG000NH6 MDL No:
Product Description
Catalog Number:
AG000NH6
Chemical Name:
Benzoic acid, 4-methoxy-, (2R)-3-chloro-2-hydroxypropyl ester
CAS Number:
1253202-34-4
Molecular Formula:
C11H13ClO4
Molecular Weight:
244.6715
IUPAC Name:
[(2R)-3-chloro-2-hydroxypropyl] 4-methoxybenzoate
InChI:
InChI=1S/C11H13ClO4/c1-15-10-4-2-8(3-5-10)11(14)16-7-9(13)6-12/h2-5,9,13H,6-7H2,1H3/t9-/m0/s1
InChI Key:
YEXAZFVNRQKMHP-VIFPVBQESA-N
SMILES:
ClC[C@@H](COC(=O)c1ccc(cc1)OC)O
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
244.05g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
244.671g/mol
Monoisotopic Mass:
244.05g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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