Home Halogens Methyl 4-bromobenzo[d]oxazole-2-carboxylate

Methyl 4-bromobenzo[d]oxazole-2-carboxylate

CAS No.:
954239-74-8
Catalog Number:
AG0060AE
Molecular Formula:
C9H6BrNO3
Molecular Weight:
256.0528
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
1 week
United States
$455
- +
1g
95%
1 week
United States
$1094
- +
Product Description
Catalog Number:
AG0060AE
Chemical Name:
Methyl 4-bromobenzo[d]oxazole-2-carboxylate
CAS Number:
954239-74-8
Molecular Formula:
C9H6BrNO3
Molecular Weight:
256.0528
MDL Number:
MFCD09832206
IUPAC Name:
methyl 4-bromo-1,3-benzoxazole-2-carboxylate
InChI:
InChI=1S/C9H6BrNO3/c1-13-9(12)8-11-7-5(10)3-2-4-6(7)14-8/h2-4H,1H3
InChI Key:
GOEFVKGKRZQHCG-UHFFFAOYSA-N
SMILES:
COC(=O)c1oc2c(n1)c(Br)ccc2
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