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808127-77-7

808127-77-7 | 4-Bromo-6-(2-methoxyethoxy)isoindolin-1-one

CAS No: 808127-77-7 Catalog No: AG005IPG MDL No:MFCD13177805

Product Description

Catalog Number:
AG005IPG
Chemical Name:
4-Bromo-6-(2-methoxyethoxy)isoindolin-1-one
CAS Number:
808127-77-7
Molecular Formula:
C11H12BrNO3
Molecular Weight:
286.1219
MDL Number:
MFCD13177805
IUPAC Name:
4-bromo-6-(2-methoxyethoxy)-2,3-dihydroisoindol-1-one
InChI:
InChI=1S/C11H12BrNO3/c1-15-2-3-16-7-4-8-9(10(12)5-7)6-13-11(8)14/h4-5H,2-3,6H2,1H3,(H,13,14)
InChI Key:
OKNWUIBPCYMOEY-UHFFFAOYSA-N
SMILES:
COCCOc1cc(Br)c2c(c1)C(=O)NC2

Properties

Complexity:
262  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
286.125g/mol
Monoisotopic Mass:
285g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  

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