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71993-33-4 | 4H-1-Benzopyran-4-one, 3-chloro-2-(4-methoxyphenyl)-
CAS No: 71993-33-4 Catalog No: AG005EBL MDL No:MFCD00276183
Product Description
Catalog Number:
AG005EBL
Chemical Name:
4H-1-Benzopyran-4-one, 3-chloro-2-(4-methoxyphenyl)-
CAS Number:
71993-33-4
Molecular Formula:
C16H11ClO3
Molecular Weight:
286.7097
MDL Number:
MFCD00276183
IUPAC Name:
3-chloro-2-(4-methoxyphenyl)chromen-4-one
InChI:
InChI=1S/C16H11ClO3/c1-19-11-8-6-10(7-9-11)16-14(17)15(18)12-4-2-3-5-13(12)20-16/h2-9H,1H3
InChI Key:
WKBNZXZRQGWGST-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1oc2ccccc2c(=O)c1Cl
Properties
Complexity:
410
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.04g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.711g/mol
Monoisotopic Mass:
286.04g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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