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Home > Aldehydes > 126350-18-3
126350-18-3 | 2H-1-Benzopyran-3-carboxaldehyde, 6,8-dichloro-
CAS No: 126350-18-3 Catalog No: AG000SPD MDL No:MFCD04114585
Product Description
Catalog Number:
AG000SPD
Chemical Name:
2H-1-Benzopyran-3-carboxaldehyde, 6,8-dichloro-
CAS Number:
126350-18-3
Molecular Formula:
C10H6Cl2O2
Molecular Weight:
229.0594
MDL Number:
MFCD04114585
IUPAC Name:
6,8-dichloro-2H-chromene-3-carbaldehyde
InChI:
InChI=1S/C10H6Cl2O2/c11-8-2-7-1-6(4-13)5-14-10(7)9(12)3-8/h1-4H,5H2
InChI Key:
HKPROOTVXQRMFV-UHFFFAOYSA-N
SMILES:
O=CC1=Cc2c(OC1)c(Cl)cc(c2)Cl
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.974g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.056g/mol
Monoisotopic Mass:
227.974g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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