Home Halogens 1,3-Benzodioxole-5-carboxaldehyde,7-chloro-

1,3-Benzodioxole-5-carboxaldehyde,7-chloro-

CAS No.:
88525-51-3
Catalog Number:
AG0089QJ
Molecular Formula:
C8H5ClO3
Molecular Weight:
184.5765
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Product Description
Catalog Number:
AG0089QJ
Chemical Name:
1,3-Benzodioxole-5-carboxaldehyde,7-chloro-
CAS Number:
88525-51-3
Molecular Formula:
C8H5ClO3
Molecular Weight:
184.5765
MDL Number:
MFCD01124865
IUPAC Name:
7-chloro-1,3-benzodioxole-5-carbaldehyde
InChI:
InChI=1S/C8H5ClO3/c9-6-1-5(3-10)2-7-8(6)12-4-11-7/h1-3H,4H2
InChI Key:
SFBUWLLIFJURHG-UHFFFAOYSA-N
SMILES:
O=Cc1cc(Cl)c2c(c1)OCO2
Properties
Complexity:
185  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.993g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.575g/mol
Monoisotopic Mass:
183.993g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties