Home Halogens methyl 4-bromo-2-formyl-3-hydroxybenzoate

methyl 4-bromo-2-formyl-3-hydroxybenzoate

CAS No.:
2092432-54-5
Catalog Number:
AG01B5CU
Molecular Formula:
C9H7BrO4
Molecular Weight:
259.0535
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Product Description
Catalog Number:
AG01B5CU
Chemical Name:
methyl 4-bromo-2-formyl-3-hydroxybenzoate
CAS Number:
2092432-54-5
Molecular Formula:
C9H7BrO4
Molecular Weight:
259.0535
MDL Number:
MFCD31629038
IUPAC Name:
methyl 4-bromo-2-formyl-3-hydroxybenzoate
InChI:
InChI=1S/C9H7BrO4/c1-14-9(13)5-2-3-7(10)8(12)6(5)4-11/h2-4,12H,1H3
InChI Key:
WYVRIJXMHNZHKT-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1C=O)O)Br
Properties
Complexity:
231  
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:
1  
Isotope Atom Count:
0
Molecular Weight:
259.055g/mol
Monoisotopic Mass:
257.953g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties