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124658-76-0 | Acetic acid, 2-bromo-, 2-formylphenyl ester
CAS No: 124658-76-0 Catalog No: AG000MKA MDL No:
Product Description
Catalog Number:
AG000MKA
Chemical Name:
Acetic acid, 2-bromo-, 2-formylphenyl ester
CAS Number:
124658-76-0
Molecular Formula:
C9H7BrO3
Molecular Weight:
243.0541
IUPAC Name:
(2-formylphenyl) 2-bromoacetate
InChI:
InChI=1S/C9H7BrO3/c10-5-9(12)13-8-4-2-1-3-7(8)6-11/h1-4,6H,5H2
InChI Key:
FNLOIMSSKSYIPU-UHFFFAOYSA-N
SMILES:
BrCC(=O)Oc1ccccc1C=O
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.958g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.056g/mol
Monoisotopic Mass:
241.958g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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