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Home Halogens 1-(1,3-Benzodioxol-5-yl)-2-bromoethan-1-one

1-(1,3-Benzodioxol-5-yl)-2-bromoethan-1-one

CAS No.:
40288-65-1
Catalog Number:
AG00C87V
Molecular Formula:
C9H7BrO3
Molecular Weight:
243.0541
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$69
- +
5g
97%
In Stock USA
United States
$244
- +
10g
97%
In Stock USA
United States
$438
- +
25g
97%
In Stock USA
United States
$850
- +
Product Description
Catalog Number:
AG00C87V
Chemical Name:
1-(1,3-Benzodioxol-5-yl)-2-bromoethan-1-one
CAS Number:
40288-65-1
Molecular Formula:
C9H7BrO3
Molecular Weight:
243.0541
MDL Number:
MFCD01910077
IUPAC Name:
1-(1,3-benzodioxol-5-yl)-2-bromoethanone
InChI:
InChI=1S/C9H7BrO3/c10-4-7(11)6-1-2-8-9(3-6)13-5-12-8/h1-3H,4-5H2
InChI Key:
QBXCVQVFPVXAGS-UHFFFAOYSA-N
SMILES:
BrCC(=O)c1ccc2c(c1)OCO2
NSC Number:
53941
Properties
Complexity:
207  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.958g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.056g/mol
Monoisotopic Mass:
241.958g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties