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Home Halogens Methyl 6-bromobenzo[d][1,3]dioxole-5-carboxylate

Methyl 6-bromobenzo[d][1,3]dioxole-5-carboxylate

CAS No.:
61441-09-6
Catalog Number:
AG00ELOQ
Molecular Formula:
C9H7BrO4
Molecular Weight:
259.0535
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$452
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Product Description
Catalog Number:
AG00ELOQ
Chemical Name:
Methyl 6-bromobenzo[d][1,3]dioxole-5-carboxylate
CAS Number:
61441-09-6
Molecular Formula:
C9H7BrO4
Molecular Weight:
259.0535
MDL Number:
MFCD06203686
IUPAC Name:
methyl 6-bromo-1,3-benzodioxole-5-carboxylate
InChI:
InChI=1S/C9H7BrO4/c1-12-9(11)5-2-7-8(3-6(5)10)14-4-13-7/h2-3H,4H2,1H3
InChI Key:
OOWBNMSDTXJYGE-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc2OCOc2cc1Br
NSC Number:
127694
Properties
Complexity:
233  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.953g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.055g/mol
Monoisotopic Mass:
257.953g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties