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115822-62-3 | 4H-1-Benzopyran-4-one, 2-(chloromethyl)-
CAS No: 115822-62-3 Catalog No: AG000GWN MDL No:
Product Description
Catalog Number:
AG000GWN
Chemical Name:
4H-1-Benzopyran-4-one, 2-(chloromethyl)-
CAS Number:
115822-62-3
Molecular Formula:
C10H7ClO2
Molecular Weight:
194.6144
IUPAC Name:
2-(chloromethyl)chromen-4-one
InChI:
InChI=1S/C10H7ClO2/c11-6-7-5-9(12)8-3-1-2-4-10(8)13-7/h1-5H,6H2
InChI Key:
DMZYKVMSIQJQDP-UHFFFAOYSA-N
SMILES:
ClCc1cc(=O)c2c(o1)cccc2
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.013g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.614g/mol
Monoisotopic Mass:
194.013g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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