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Home > Bromides > 1196474-68-6
1196474-68-6 | Benzoic acid, 4-(3-bromo-4-formylphenoxy)-, ethyl ester
CAS No: 1196474-68-6 Catalog No: AG000PEJ MDL No:MFCD18206333
Product Description
Catalog Number:
AG000PEJ
Chemical Name:
Benzoic acid, 4-(3-bromo-4-formylphenoxy)-, ethyl ester
CAS Number:
1196474-68-6
Molecular Formula:
C16H13BrO4
Molecular Weight:
349.1760
MDL Number:
MFCD18206333
IUPAC Name:
ethyl 4-(3-bromo-4-formylphenoxy)benzoate
InChI:
InChI=1S/C16H13BrO4/c1-2-20-16(19)11-3-6-13(7-4-11)21-14-8-5-12(10-18)15(17)9-14/h3-10H,2H2,1H3
InChI Key:
ZETWHASWJSGZSB-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(cc1)Oc1ccc(c(c1)Br)C=O
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
349.18g/mol
Monoisotopic Mass:
348g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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