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38567-00-9 | 4-(2-Chloro-ethoxy)-benzoic acid methyl ester
CAS No: 38567-00-9 Catalog No: AG01FAHM MDL No:
Product Description
Catalog Number:
AG01FAHM
Chemical Name:
4-(2-Chloro-ethoxy)-benzoic acid methyl ester
CAS Number:
38567-00-9
Molecular Formula:
C10H11ClO3
Molecular Weight:
214.6455
IUPAC Name:
methyl 4-(2-chloroethoxy)benzoate
InChI:
InChI=1S/C10H11ClO3/c1-13-10(12)8-2-4-9(5-3-8)14-7-6-11/h2-5H,6-7H2,1H3
InChI Key:
SRSRGGYRIOZFAT-UHFFFAOYSA-N
SMILES:
ClCCOc1ccc(cc1)C(=O)OC
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.04g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.645g/mol
Monoisotopic Mass:
214.04g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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