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175205-58-0 | 2H-1-Benzopyran-3-carboxaldehyde, 4,6-dichloro-
CAS No: 175205-58-0 Catalog No: AG0020OX MDL No:MFCD00084992
Product Description
Catalog Number:
AG0020OX
Chemical Name:
2H-1-Benzopyran-3-carboxaldehyde, 4,6-dichloro-
CAS Number:
175205-58-0
Molecular Formula:
C10H6Cl2O2
Molecular Weight:
229.0594
MDL Number:
MFCD00084992
IUPAC Name:
4,6-dichloro-2H-chromene-3-carbaldehyde
InChI:
InChI=1S/C10H6Cl2O2/c11-7-1-2-9-8(3-7)10(12)6(4-13)5-14-9/h1-4H,5H2
InChI Key:
XEGONRKPLYJCFN-UHFFFAOYSA-N
SMILES:
ClC1=C(COc2c1cc(Cl)cc2)C=O
Properties
Complexity:
275
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:
2.4
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