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Home Other Building Blocks 2-Bromo-1-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)ethan-1-one

2-Bromo-1-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)ethan-1-one

CAS No.:
35970-34-4
Catalog Number:
AG003GLQ
Molecular Formula:
C11H11BrO3
Molecular Weight:
271.1072
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
1 week
United States
$1219
- +
5g
1 week
United States
$5055
- +
Product Description
Catalog Number:
AG003GLQ
Chemical Name:
2-Bromo-1-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)ethan-1-one
CAS Number:
35970-34-4
Molecular Formula:
C11H11BrO3
Molecular Weight:
271.1072
MDL Number:
MFCD00218462
IUPAC Name:
2-bromo-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanone
InChI:
InChI=1S/C11H11BrO3/c12-7-9(13)8-2-3-10-11(6-8)15-5-1-4-14-10/h2-3,6H,1,4-5,7H2
InChI Key:
YJSZSLGVTLSCRU-UHFFFAOYSA-N
SMILES:
BrCC(=O)c1ccc2c(c1)OCCCO2
Properties
Complexity:
232  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.989g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.11g/mol
Monoisotopic Mass:
269.989g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Literature
Title Journal
Synthesis of 5-(2-,3- and 4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol derivatives exhibiting anti-inflammatory activity. Farmaco (Societa chimica italiana : 1989) 20040401
Properties