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Home Carboxys 6-Bromo-benzooxazole-2-carboxylic acid methyl ester

6-Bromo-benzooxazole-2-carboxylic acid methyl ester

CAS No.:
954239-67-9
Catalog Number:
AG0060AF
Molecular Formula:
C9H6BrNO3
Molecular Weight:
256.0528
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$119
- +
1g
95%
In Stock USA
United States
$350
- +
Product Description
Catalog Number:
AG0060AF
Chemical Name:
6-Bromo-benzooxazole-2-carboxylic acid methyl ester
CAS Number:
954239-67-9
Molecular Formula:
C9H6BrNO3
Molecular Weight:
256.0528
MDL Number:
MFCD09832203
IUPAC Name:
methyl 6-bromo-1,3-benzoxazole-2-carboxylate
InChI:
InChI=1S/C9H6BrNO3/c1-13-9(12)8-11-6-3-2-5(10)4-7(6)14-8/h2-4H,1H3
InChI Key:
SLACEVLLDFPFJF-UHFFFAOYSA-N
SMILES:
COC(=O)c1nc2c(o1)cc(cc2)Br
Properties
Complexity:
236  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.953g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.055g/mol
Monoisotopic Mass:
254.953g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties