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1154740-80-3 | 2H-1-Benzopyran-3(4H)-one, 5-chloro-
CAS No: 1154740-80-3 Catalog No: AG000G0U MDL No:MFCD12828267
Product Description
Catalog Number:
AG000G0U
Chemical Name:
2H-1-Benzopyran-3(4H)-one, 5-chloro-
CAS Number:
1154740-80-3
Molecular Formula:
C9H7ClO2
Molecular Weight:
182.6037
MDL Number:
MFCD12828267
IUPAC Name:
5-chloro-4H-chromen-3-one
InChI:
InChI=1S/C9H7ClO2/c10-8-2-1-3-9-7(8)4-6(11)5-12-9/h1-3H,4-5H2
InChI Key:
YOCVKDPBFDTESD-UHFFFAOYSA-N
SMILES:
O=C1COc2c(C1)c(Cl)ccc2
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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