Home Halogens methyl 5-bromo-2,3-dihydroxybenzoate

methyl 5-bromo-2,3-dihydroxybenzoate

CAS No.:
105603-49-4
Catalog Number:
AG008WUP
Molecular Formula:
C8H7BrO4
Molecular Weight:
247.0428
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Product Description
Catalog Number:
AG008WUP
Chemical Name:
methyl 5-bromo-2,3-dihydroxybenzoate
CAS Number:
105603-49-4
Molecular Formula:
C8H7BrO4
Molecular Weight:
247.0428
MDL Number:
MFCD01412199
IUPAC Name:
methyl 5-bromo-2,3-dihydroxybenzoate
InChI:
InChI=1S/C8H7BrO4/c1-13-8(12)5-2-4(9)3-6(10)7(5)11/h2-3,10-11H,1H3
InChI Key:
DADZQRYTHXRMPM-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Br)cc(c1O)O
Properties
Complexity:
197  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.953g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
247.044g/mol
Monoisotopic Mass:
245.953g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties