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918300-46-6

918300-46-6 | 2H-1-Benzopyran-2-one, 3-bromo-7,8-dihydroxy-6-methoxy-

CAS No: 918300-46-6 Catalog No: AG006GI7 MDL No:

Product Description

Catalog Number:
AG006GI7
Chemical Name:
2H-1-Benzopyran-2-one, 3-bromo-7,8-dihydroxy-6-methoxy-
CAS Number:
918300-46-6
Molecular Formula:
C10H7BrO5
Molecular Weight:
287.0636
IUPAC Name:
3-bromo-7,8-dihydroxy-6-methoxychromen-2-one
InChI:
InChI=1S/C10H7BrO5/c1-15-6-3-4-2-5(11)10(14)16-9(4)8(13)7(6)12/h2-3,12-13H,1H3
InChI Key:
LSRMUGGUZYVIAJ-UHFFFAOYSA-N
SMILES:
COc1cc2cc(Br)c(=O)oc2c(c1O)O

Properties

Complexity:
329  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.948g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
287.065g/mol
Monoisotopic Mass:
285.948g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  

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