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918299-40-8

918299-40-8 | 1H-Indene-2-carboxylic acid, 5-bromo-2,3-dihydro-1-oxo-, ethyl ester

CAS No: 918299-40-8 Catalog No: AG006GIC MDL No:

Product Description

Catalog Number:
AG006GIC
Chemical Name:
1H-Indene-2-carboxylic acid, 5-bromo-2,3-dihydro-1-oxo-, ethyl ester
CAS Number:
918299-40-8
Molecular Formula:
C12H11BrO3
Molecular Weight:
283.1179
IUPAC Name:
ethyl 6-bromo-3-oxo-1,2-dihydroindene-2-carboxylate
InChI:
InChI=1S/C12H11BrO3/c1-2-16-12(15)10-6-7-5-8(13)3-4-9(7)11(10)14/h3-5,10H,2,6H2,1H3
InChI Key:
OZRLEBRVAQMJNR-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1Cc2c(C1=O)ccc(c2)Br

Properties

Complexity:
303  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.989g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.121g/mol
Monoisotopic Mass:
281.989g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  

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