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1344725-21-8

1344725-21-8 | 5-BROMO-6-METHYLCHROMAN-4-ONE

CAS No: 1344725-21-8 Catalog No: AG01ELFB MDL No:MFCD21359475

Product Description

Catalog Number:
AG01ELFB
Chemical Name:
5-BROMO-6-METHYLCHROMAN-4-ONE
CAS Number:
1344725-21-8
Molecular Formula:
C10H9BrO2
Molecular Weight:
241.0813
MDL Number:
MFCD21359475
IUPAC Name:
5-bromo-6-methyl-2,3-dihydrochromen-4-one
InChI:
InChI=1S/C10H9BrO2/c1-6-2-3-8-9(10(6)11)7(12)4-5-13-8/h2-3H,4-5H2,1H3
InChI Key:
YZMAEBAVUOMERK-UHFFFAOYSA-N
SMILES:
O=C1CCOc2c1c(Br)c(cc2)C

Properties

Complexity:
217  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.979g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.084g/mol
Monoisotopic Mass:
239.979g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  

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