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18333-15-8 | Propanoic acid, 3-(4-bromophenoxy)-, methyl ester
CAS No: 18333-15-8 Catalog No: AG0027J3 MDL No:
Product Description
Catalog Number:
AG0027J3
Chemical Name:
Propanoic acid, 3-(4-bromophenoxy)-, methyl ester
CAS Number:
18333-15-8
Molecular Formula:
C10H11BrO3
Molecular Weight:
259.0965
IUPAC Name:
methyl 3-(4-bromophenoxy)propanoate
InChI:
InChI=1S/C10H11BrO3/c1-13-10(12)6-7-14-9-4-2-8(11)3-5-9/h2-5H,6-7H2,1H3
InChI Key:
VHLORERZRULFJB-UHFFFAOYSA-N
SMILES:
COC(=O)CCOc1ccc(cc1)Br
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.989g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.099g/mol
Monoisotopic Mass:
257.989g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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