Home Halogens methyl 7-bromo-1,2-benzoxazole-4-carboxylate

methyl 7-bromo-1,2-benzoxazole-4-carboxylate

CAS No.:
2090909-62-7
Catalog Number:
AG01DW6M
Molecular Formula:
C9H6BrNO3
Molecular Weight:
256.0528
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Product Description
Catalog Number:
AG01DW6M
Chemical Name:
methyl 7-bromo-1,2-benzoxazole-4-carboxylate
CAS Number:
2090909-62-7
Molecular Formula:
C9H6BrNO3
Molecular Weight:
256.0528
MDL Number:
MFCD31615811
IUPAC Name:
methyl 7-bromo-1,2-benzoxazole-4-carboxylate
InChI:
InChI=1S/C9H6BrNO3/c1-13-9(12)5-2-3-7(10)8-6(5)4-11-14-8/h2-4H,1H3
InChI Key:
XHKMNRSDVABGCR-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c2c1cno2)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:
2.3  
Properties