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13178-99-9 | 4H-1-Benzopyran-4-one, 3-chloro-6-methyl-2-phenyl-
CAS No: 13178-99-9 Catalog No: AG000ZQF MDL No:
Product Description
Catalog Number:
AG000ZQF
Chemical Name:
4H-1-Benzopyran-4-one, 3-chloro-6-methyl-2-phenyl-
CAS Number:
13178-99-9
Molecular Formula:
C16H11ClO2
Molecular Weight:
270.7103
IUPAC Name:
3-chloro-6-methyl-2-phenylchromen-4-one
InChI:
InChI=1S/C16H11ClO2/c1-10-7-8-13-12(9-10)15(18)14(17)16(19-13)11-5-3-2-4-6-11/h2-9H,1H3
InChI Key:
HWKMEFFTODSEEU-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1)c(=O)c(c(o2)c1ccccc1)Cl
NSC Number:
74882
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.045g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.712g/mol
Monoisotopic Mass:
270.045g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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