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131447-40-0 | 2H-1-Benzopyran-2-one, 4-chloro-7-(diethylamino)-
CAS No: 131447-40-0 Catalog No: AG000W7H MDL No:
Product Description
Catalog Number:
AG000W7H
Chemical Name:
2H-1-Benzopyran-2-one, 4-chloro-7-(diethylamino)-
CAS Number:
131447-40-0
Molecular Formula:
C13H14ClNO2
Molecular Weight:
251.7088
IUPAC Name:
4-chloro-7-(diethylamino)chromen-2-one
InChI:
InChI=1S/C13H14ClNO2/c1-3-15(4-2)9-5-6-10-11(14)8-13(16)17-12(10)7-9/h5-8H,3-4H2,1-2H3
InChI Key:
RNVTULXTDSCADN-UHFFFAOYSA-N
SMILES:
CCN(c1ccc2c(c1)oc(=O)cc2Cl)CC
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.071g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.71g/mol
Monoisotopic Mass:
251.071g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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