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356039-74-2 | Ethyl 4-(4-bromo-2-formylphenoxy)butanoate
CAS No: 356039-74-2 Catalog No: AG01FBEJ MDL No:
Product Description
Catalog Number:
AG01FBEJ
Chemical Name:
Ethyl 4-(4-bromo-2-formylphenoxy)butanoate
CAS Number:
356039-74-2
Molecular Formula:
C13H15BrO4
Molecular Weight:
315.1598
IUPAC Name:
ethyl 4-(4-bromo-2-formylphenoxy)butanoate
InChI:
InChI=1S/C13H15BrO4/c1-2-17-13(16)4-3-7-18-12-6-5-11(14)8-10(12)9-15/h5-6,8-9H,2-4,7H2,1H3
InChI Key:
CWMBRHNHJMTNOA-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCOc1ccc(cc1C=O)Br
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.015g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
315.163g/mol
Monoisotopic Mass:
314.015g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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