Home Halogens 3-chloro-1-benzofuran-2-carbaldehyde

3-chloro-1-benzofuran-2-carbaldehyde

CAS No.:
40620-00-6
Catalog Number:
AG019VTA
Molecular Formula:
C9H5ClO2
Molecular Weight:
180.5878
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Product Description
Catalog Number:
AG019VTA
Chemical Name:
3-chloro-1-benzofuran-2-carbaldehyde
CAS Number:
40620-00-6
Molecular Formula:
C9H5ClO2
Molecular Weight:
180.5878
MDL Number:
MFCD01917021
IUPAC Name:
3-chloro-1-benzofuran-2-carbaldehyde
InChI:
InChI=1S/C9H5ClO2/c10-9-6-3-1-2-4-7(6)12-8(9)5-11/h1-5H
InChI Key:
LCUJMIJZIBBAAX-UHFFFAOYSA-N
SMILES:
O=Cc1oc2c(c1Cl)cccc2
Properties
Complexity:
183  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.998g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.587g/mol
Monoisotopic Mass:
179.998g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
30.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties