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Home Halogens 1,4-Benzodioxin-6-aceticacid, 7-bromo-2,3-dihydro-

1,4-Benzodioxin-6-aceticacid, 7-bromo-2,3-dihydro-

CAS No.:
98947-00-3
Catalog Number:
AG0066L5
Molecular Formula:
C10H9BrO4
Molecular Weight:
273.0801
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Product Description
Catalog Number:
AG0066L5
Chemical Name:
1,4-Benzodioxin-6-aceticacid, 7-bromo-2,3-dihydro-
CAS Number:
98947-00-3
Molecular Formula:
C10H9BrO4
Molecular Weight:
273.0801
MDL Number:
MFCD02664762
IUPAC Name:
2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)acetic acid
InChI:
InChI=1S/C10H9BrO4/c11-7-5-9-8(14-1-2-15-9)3-6(7)4-10(12)13/h3,5H,1-2,4H2,(H,12,13)
InChI Key:
RAWVTZMLRYXFNQ-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1cc2OCCOc2cc1Br
Properties
Complexity:
246  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.968g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
273.082g/mol
Monoisotopic Mass:
271.968g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties