Home Halogens Methyl 5-bromobenzo[d]isoxazole-3-carboxylate

Methyl 5-bromobenzo[d]isoxazole-3-carboxylate

CAS No.:
1123169-30-1
Catalog Number:
AG00HCDQ
Molecular Formula:
C9H6BrNO3
Molecular Weight:
256.0528
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Product Description
Catalog Number:
AG00HCDQ
Chemical Name:
Methyl 5-bromobenzo[d]isoxazole-3-carboxylate
CAS Number:
1123169-30-1
Molecular Formula:
C9H6BrNO3
Molecular Weight:
256.0528
MDL Number:
MFCD11858442
IUPAC Name:
methyl 5-bromo-1,2-benzoxazole-3-carboxylate
InChI:
InChI=1S/C9H6BrNO3/c1-13-9(12)8-6-4-5(10)2-3-7(6)14-11-8/h2-4H,1H3
InChI Key:
WLVOSGRKENYNLY-UHFFFAOYSA-N
SMILES:
COC(=O)c1noc2c1cc(Br)cc2
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