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15952-61-1 | 1,3-Benzodioxole-5-carboxaldehyde, 6-chloro-
CAS No: 15952-61-1 Catalog No: AG001R5J MDL No:MFCD00022953
Product Description
Catalog Number:
AG001R5J
Chemical Name:
1,3-Benzodioxole-5-carboxaldehyde, 6-chloro-
CAS Number:
15952-61-1
Molecular Formula:
C8H5ClO3
Molecular Weight:
184.5765
MDL Number:
MFCD00022953
IUPAC Name:
6-chloro-1,3-benzodioxole-5-carbaldehyde
InChI:
InChI=1S/C8H5ClO3/c9-6-2-8-7(11-4-12-8)1-5(6)3-10/h1-3H,4H2
InChI Key:
VRNADRCOROWLJC-UHFFFAOYSA-N
SMILES:
O=Cc1cc2OCOc2cc1Cl
NSC Number:
166400
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
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