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188813-16-3

188813-16-3 | 2H-1-Benzopyran-2-one, 8-bromo-6-chloro-

CAS No: 188813-16-3 Catalog No: AG002HDJ MDL No:

Product Description

Catalog Number:
AG002HDJ
Chemical Name:
2H-1-Benzopyran-2-one, 8-bromo-6-chloro-
CAS Number:
188813-16-3
Molecular Formula:
C9H4BrClO2
Molecular Weight:
259.4839
IUPAC Name:
8-bromo-6-chlorochromen-2-one
InChI:
InChI=1S/C9H4BrClO2/c10-7-4-6(11)3-5-1-2-8(12)13-9(5)7/h1-4H
InChI Key:
SKHMMUFWOTWUKU-UHFFFAOYSA-N
SMILES:
Clc1cc(Br)c2c(c1)ccc(=O)o2

Properties

Complexity:
254  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.908g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.483g/mol
Monoisotopic Mass:
257.908g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  

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