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80716-14-9 | Acetic acid, bromo-, 2-oxo-2H-1-benzopyran-3-yl ester
CAS No: 80716-14-9 Catalog No: AG005JRO MDL No:
Product Description
Catalog Number:
AG005JRO
Chemical Name:
Acetic acid, bromo-, 2-oxo-2H-1-benzopyran-3-yl ester
CAS Number:
80716-14-9
Molecular Formula:
C11H7BrO4
Molecular Weight:
283.0749
IUPAC Name:
(2-oxochromen-3-yl) 2-bromoacetate
InChI:
InChI=1S/C11H7BrO4/c12-6-10(13)15-9-5-7-3-1-2-4-8(7)16-11(9)14/h1-5H,6H2
InChI Key:
HNYARSLLQRHQDQ-UHFFFAOYSA-N
SMILES:
BrCC(=O)Oc1cc2ccccc2oc1=O
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.953g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.077g/mol
Monoisotopic Mass:
281.953g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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