Home Carbonyls 2,3-Dihydro-1,4-benzodioxine-2-carbonyl chloride

2,3-Dihydro-1,4-benzodioxine-2-carbonyl chloride

CAS No.:
3663-81-8
Catalog Number:
AG0078SW
Molecular Formula:
C9H7ClO3
Molecular Weight:
198.6031
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Purity
Availability
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1g
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United States
$247
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Product Description
Catalog Number:
AG0078SW
Chemical Name:
2,3-Dihydro-1,4-benzodioxine-2-carbonyl chloride
CAS Number:
3663-81-8
Molecular Formula:
C9H7ClO3
Molecular Weight:
198.6031
MDL Number:
MFCD02180342
IUPAC Name:
2,3-dihydro-1,4-benzodioxine-3-carbonyl chloride
InChI:
InChI=1S/C9H7ClO3/c10-9(11)8-5-12-6-3-1-2-4-7(6)13-8/h1-4,8H,5H2
InChI Key:
UPCGTFBXZKCPOT-UHFFFAOYSA-N
SMILES:
ClC(=O)C1COc2c(O1)cccc2
Properties
Complexity:
207  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.008g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.602g/mol
Monoisotopic Mass:
198.008g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties