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Home > Aldehydes > 288399-45-1
288399-45-1 | 4H-1-Benzopyran-3-carboxaldehyde, 2-amino-6,8-dichloro-4-oxo-
CAS No: 288399-45-1 Catalog No: AG002WQX MDL No:
Product Description
Catalog Number:
AG002WQX
Chemical Name:
4H-1-Benzopyran-3-carboxaldehyde, 2-amino-6,8-dichloro-4-oxo-
CAS Number:
288399-45-1
Molecular Formula:
C10H5Cl2NO3
Molecular Weight:
258.0576
IUPAC Name:
2-amino-6,8-dichloro-4-oxochromene-3-carbaldehyde
InChI:
InChI=1S/C10H5Cl2NO3/c11-4-1-5-8(15)6(3-14)10(13)16-9(5)7(12)2-4/h1-3H,13H2
InChI Key:
NEDXRTLWWHUJNC-UHFFFAOYSA-N
SMILES:
O=Cc1c(N)oc2c(c1=O)cc(cc2Cl)Cl
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.965g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
258.054g/mol
Monoisotopic Mass:
256.965g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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