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918300-48-8

918300-48-8 | 2H-1-Benzopyran-2-one, 7-bromo-6-hydroxy-

CAS No: 918300-48-8 Catalog No: AG006GI5 MDL No:

Product Description

Catalog Number:
AG006GI5
Chemical Name:
2H-1-Benzopyran-2-one, 7-bromo-6-hydroxy-
CAS Number:
918300-48-8
Molecular Formula:
C9H5BrO3
Molecular Weight:
241.0382
IUPAC Name:
7-bromo-6-hydroxychromen-2-one
InChI:
InChI=1S/C9H5BrO3/c10-6-4-8-5(3-7(6)11)1-2-9(12)13-8/h1-4,11H
InChI Key:
URCVBXMPDJMLPL-UHFFFAOYSA-N
SMILES:
O=c1ccc2c(o1)cc(c(c2)O)Br

Properties

Complexity:
251  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.942g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
241.04g/mol
Monoisotopic Mass:
239.942g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  

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