Home Halogens 2H-1-Benzopyran-3(4H)-one, 6-chloro-

2H-1-Benzopyran-3(4H)-one, 6-chloro-

CAS No.:
26371-48-2
Catalog Number:
AG002SXE
Molecular Formula:
C9H7ClO2
Molecular Weight:
182.6037
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Product Description
Catalog Number:
AG002SXE
Chemical Name:
2H-1-Benzopyran-3(4H)-one, 6-chloro-
CAS Number:
26371-48-2
Molecular Formula:
C9H7ClO2
Molecular Weight:
182.6037
IUPAC Name:
6-chloro-4H-chromen-3-one
InChI:
InChI=1S/C9H7ClO2/c10-7-1-2-9-6(3-7)4-8(11)5-12-9/h1-3H,4-5H2
InChI Key:
XRBIZKTYVWJBDA-UHFFFAOYSA-N
SMILES:
Clc1cc2CC(=O)COc2cc1
Properties
Complexity:
193  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.013g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.603g/mol
Monoisotopic Mass:
182.013g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties