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84707-83-5 | 1-benzo[1,3]dioxol-5-yl-3-chloro-propan-1-one
CAS No: 84707-83-5 Catalog No: AG004PI3 MDL No:
Product Description
Catalog Number:
AG004PI3
Chemical Name:
1-benzo[1,3]dioxol-5-yl-3-chloro-propan-1-one
CAS Number:
84707-83-5
Molecular Formula:
C10H9ClO3
Molecular Weight:
212.6297
IUPAC Name:
1-(1,3-benzodioxol-5-yl)-3-chloropropan-1-one
InChI:
InChI=1S/C10H9ClO3/c11-4-3-8(12)7-1-2-9-10(5-7)14-6-13-9/h1-2,5H,3-4,6H2
InChI Key:
LVAXXJRNMOQLBL-UHFFFAOYSA-N
SMILES:
ClCCC(=O)c1ccc2c(c1)OCO2
NSC Number:
113081
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.024g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.629g/mol
Monoisotopic Mass:
212.024g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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