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881994-35-0 | Acetic acid, bromo-, 4-formyl-2-methoxyphenyl ester
CAS No: 881994-35-0 Catalog No: AG004C7U MDL No:
Product Description
Catalog Number:
AG004C7U
Chemical Name:
Acetic acid, bromo-, 4-formyl-2-methoxyphenyl ester
CAS Number:
881994-35-0
Molecular Formula:
C10H9BrO4
Molecular Weight:
273.0801
IUPAC Name:
(4-formyl-2-methoxyphenyl) 2-bromoacetate
InChI:
InChI=1S/C10H9BrO4/c1-14-9-4-7(6-12)2-3-8(9)15-10(13)5-11/h2-4,6H,5H2,1H3
InChI Key:
CYEKGRGMBTXPHG-UHFFFAOYSA-N
SMILES:
BrCC(=O)Oc1ccc(cc1OC)C=O
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.968g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.082g/mol
Monoisotopic Mass:
271.968g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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