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782477-52-5 | Ethyl 3,5-dibromophenylacetate
CAS No: 782477-52-5 Catalog No: AG01FF3X MDL No:MFCD12547822
Product Description
Catalog Number:
AG01FF3X
Chemical Name:
Ethyl 3,5-dibromophenylacetate
CAS Number:
782477-52-5
Molecular Formula:
C10H10Br2O2
Molecular Weight:
321.9932
MDL Number:
MFCD12547822
IUPAC Name:
ethyl 2-(3,5-dibromophenyl)acetate
InChI:
InChI=1S/C10H10Br2O2/c1-2-14-10(13)5-7-3-8(11)6-9(12)4-7/h3-4,6H,2,5H2,1H3
InChI Key:
HMRWBMHZFJRQQY-UHFFFAOYSA-N
SMILES:
CCOC(=O)Cc1cc(Br)cc(c1)Br
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.903g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
321.996g/mol
Monoisotopic Mass:
319.905g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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