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1260877-93-7 | 2H-1-Benzopyran-3(4H)-one, 8-chloro-
CAS No: 1260877-93-7 Catalog No: AG000RHE MDL No:MFCD12828262
Product Description
Catalog Number:
AG000RHE
Chemical Name:
2H-1-Benzopyran-3(4H)-one, 8-chloro-
CAS Number:
1260877-93-7
Molecular Formula:
C9H7ClO2
Molecular Weight:
182.6037
MDL Number:
MFCD12828262
IUPAC Name:
8-chloro-4H-chromen-3-one
InChI:
InChI=1S/C9H7ClO2/c10-8-3-1-2-6-4-7(11)5-12-9(6)8/h1-3H,4-5H2
InChI Key:
HNRWVWSGRNKZKG-UHFFFAOYSA-N
SMILES:
Clc1cccc2c1OCC(=O)C2
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
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